Py-MAA-Val-Cit-PAB-MMAE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H111N13O16S
Molecular Weight	1446.794
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CSCCC(=O)N4CN(CN(C4)C(=O)C=C)C(=O)C=C)C(C)C)C=C3)C(C)C

InChI

InChIKey=ASDXMJBJAKMFHO-NGASZDMPSA-N

InChI=1S/C72H111N13O16S/c1-17-46(10)63(54(99-15)37-59(90)85-35-24-28-53(85)65(100-16)47(11)66(92)75-48(12)64(91)50-25-21-20-22-26-50)80(13)70(96)61(44(6)7)79-69(95)62(45(8)9)81(14)72(98)101-38-49-29-31-51(32-30-49)76-67(93)52(27-23-34-74-71(73)97)77-68(94)60(43(4)5)78-55(86)39-102-36-33-58(89)84-41-82(56(87)18-2)40-83(42-84)57(88)19-3/h18-22,25-26,29-32,43-48,52-54,60-65,91H,2-3,17,23-24,27-28,33-42H2,1,4-16H3,(H,75,92)(H,76,93)(H,77,94)(H,78,86)(H,79,95)(H3,73,74,97)/t46-,47+,48+,52-,53-,54+,60-,61-,62-,63-,64+,65+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C72H111N13O16S
Molecular Weight	1446.794
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:54:11 GMT 2025` Edited by `admin` on `Wed Apr 02 20:54:11 GMT 2025`
Record UNII	VFG8L8V3G5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Py-MAA-Val-Cit-PAB-MMAE

Common Name

English

Zapadcine-3a

Preferred Name

English

L-Valinamide, N-methyl-N-[[[4-[[N-[2-[[3-oxo-3-[tetrahydro-3,5-bis(1-oxo-2-propen-1-yl)-1,3,5-triazin-1(2H)-yl]propyl]thio]acetyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hy

Systematic Name

English

N-Methyl-N-[[[4-[[N-[2-[[3-oxo-3-[tetrahydro-3,5-bis(1-oxo-2-propen-1-yl)-1,3,5-triazin-1(2H)-yl]propyl]thio]acetyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl

Systematic Name

English

Code System Code Type Description

PUBCHEM

146572802

Created by admin on Wed Apr 02 20:54:11 GMT 2025 , Edited by admin on Wed Apr 02 20:54:11 GMT 2025

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CAS

2247398-68-9

Created by admin on Wed Apr 02 20:54:11 GMT 2025 , Edited by admin on Wed Apr 02 20:54:11 GMT 2025

PRIMARY

FDA UNII

VFG8L8V3G5

Created by admin on Wed Apr 02 20:54:11 GMT 2025 , Edited by admin on Wed Apr 02 20:54:11 GMT 2025

PRIMARY