Payload Information
General Information of This Payload
| Payload ID | PAY0SIHVM |
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|---|---|---|---|---|---|---|
| Name | Auristatin F hydroxypropylamide (AF-HPA) |
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| Synonyms |
Auristatin f-hpa; Auristatin F hydroxypropylamide; 7A55BK9DV3; XMT-1267; 1415659-09-4; UNII-7A55BK9DV3; SCHEMBL14315837; L-PHENYLALANINAMIDE, N,N-DIMETHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-N-(3-HYDROXYPROPYL)-; L-Phenylalaninamide, N,N-dimethyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta-methoxy-alpha-methyl-2-pyrrolidinepropanoyl-N-(3-hydroxypropyl)-; N,N-DIMETHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-N-(3-HYDROXYPROPYL)-L-PHENYLALANINAMIDE; N,N-Dimethyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta-methoxy-alpha-methyl-2-pyrrolidinepropanoyl-N-(3-hydroxypropyl)-L-phenylalaninamide
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| Target | Microtubule (MT) | |||||
| Structure |
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| Formula | C43H74N6O8 |
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| Isosmiles | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCO)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C43H74N6O8/c1-13-29(6)38(48(10)43(55)36(27(2)3)46-42(54)37(28(4)5)47(8)9)34(56-11)26-35(51)49-23-17-21-33(49)39(57-12)30(7)40(52)45-32(41(53)44-22-18-24-50)25-31-19-15-14-16-20-31/h14-16,19-20,27-30,32-34,36-39,50H,13,17-18,21-26H2,1-12H3,(H,44,53)(H,45,52)(H,46,54)/t29-,30+,32-,33-,34+,36-,37-,38-,39+/m0/s1
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| InChIKey |
XHXOHGJMQNOIIO-LMPBRMKVSA-N
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| IUPAC Name |
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
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| Pharmaceutical Properties | Molecule Weight |
803.1 |
Polar area |
170 |
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Complexity |
1260 |
xlogp Value |
4.3 |
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Heavy Count |
57 |
Rot Bonds |
24 |
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Hbond acc |
9 |
Hbond Donor |
4 |
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Each Antibody-drug Conjugate Related to This Payload