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 71135  1  0  0  0  0
 71136  1  0  0  0  0
 72 73  1  0  0  0  0
 72137  1  0  0  0  0
 72138  1  0  0  0  0
 73 74  1  0  0  0  0
 73139  1  0  0  0  0
 73140  1  0  0  0  0
 74 75  1  0  0  0  0
 74141  1  0  0  0  0
 74142  1  0  0  0  0
 75 76  1  0  0  0  0
 75143  1  0  0  0  0
 75144  1  0  0  0  0
 76145  1  0  0  0  0
 76146  1  0  0  0  0
 78 79  1  0  0  0  0
 78 80  1  0  0  0  0
 78148  1  0  0  0  0
 78149  1  0  0  0  0
 79 81  1  0  0  0  0
 79150  1  0  0  0  0
 79151  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146014797

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
19

> <PUBCHEM_CACTVS_HBOND_DONOR>
13

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//gBAAAAAAAAAAAAAAAAAAWLFgAAwAAAAAAAAAFgB8AAAHgQUCAAADTzl3gayz/PZlgqoAyVyXEDK2iBhKjAombG+bJkPdvrk8buWeCjm1jn56Ae/3fOOoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,5-dioxopyrrolidin-1-yl) N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-amino-2-oxo-ethyl)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8-hydroxy-34-[(1S)-1-methylpropyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamic acid (2,5-dioxo-1-pyrrolidinyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,5-dioxopyrrolidin-1-yl) <I>N</I>-[6-[[(1<I>R</I>,4<I>S</I>,8<I>R</I>,10<I>S</I>,13<I>S</I>,16<I>S</I>,27<I>R</I>,34<I>S</I>)-4-(2-amino-2-oxoethyl)-34-[(2<I>S</I>)-butan-2-yl]-13-[(2<I>R</I>,3<I>R</I>)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27&lambda;<SUP>4</SUP>-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.0<SUP>6,10</SUP>.0<SUP>18,26</SUP>.0<SUP>19,24</SUP>]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

> <PUBCHEM_IUPAC_NAME>
(2,5-dioxopyrrolidin-1-yl) N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2,5-bis(oxidanylidene)pyrrolidin-1-yl] N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-azanyl-2-oxidanylidene-ethyl)-13-[(2R,3R)-3,4-bis(oxidanyl)butan-2-yl]-34-[(2S)-butan-2-yl]-8-oxidanyl-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-amino-2-keto-ethyl)-13-[(1R,2R)-2,3-dihydroxy-1-methyl-propyl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaketo-34-[(1S)-1-methylpropyl]-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamic acid succinimido ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C50H70N12O18S/c1-4-24(2)41-46(74)54-19-37(67)55-33-23-81(78)48-29(28-10-9-27(16-30(28)58-48)79-14-8-6-5-7-13-52-50(77)80-62-39(69)11-12-40(62)70)17-31(43(71)53-20-38(68)59-41)56-47(75)42(25(3)35(65)22-63)60-45(73)34-15-26(64)21-61(34)49(76)32(18-36(51)66)57-44(33)72/h9-10,16,24-26,31-35,41-42,58,63-65H,4-8,11-15,17-23H2,1-3H3,(H2,51,66)(H,52,77)(H,53,71)(H,54,74)(H,55,67)(H,56,75)(H,57,72)(H,59,68)(H,60,73)/t24-,25-,26+,31-,32-,33-,34-,35-,41-,42-,81+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZUPAIYBTROLQFQ-FRMVGWQGSA-N

> <PUBCHEM_XLOGP3_AA>
-3.8

> <PUBCHEM_EXACT_MASS>
1158.46517460

> <PUBCHEM_MOLECULAR_FORMULA>
C50H70N12O18S

> <PUBCHEM_MOLECULAR_WEIGHT>
1159.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OCCCCCCNC(=O)ON6C(=O)CCC6=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)OCCCCCCNC(=O)ON6C(=O)CCC6=O

> <PUBCHEM_CACTVS_TPSA>
465

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1158.46517460

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
81

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
11

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  52  5
34  2  6
24  53  8
24  56  8
32  82  6
38  88  6
39  44  6
40  43  5
45  100  5
49  106  5
41  5  5
50  53  8
50  54  8
54  56  8
54  57  8
56  58  8
57  64  8
58  63  8
60  118  6
61  69  6
63  64  8

$$$$
