PELIDOTIN PYRROLE-2,5-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C68H100N12O14S
Molecular Weight	1341.659
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PELIDOTIN PYRROLE-2,5-DIONE

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](CC2=CC=CC=C2)C3=NC=CS3)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OCC4=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN5C(=O)C=CC5=O)C(C)C)C=C4)C(C)C

InChI

InChIKey=OUOWRIRIGRPGBR-WUDDPNKVSA-N

InChI=1S/C68H100N12O14S/c1-13-43(6)58(51(92-11)39-55(84)79-36-21-25-50(79)59(93-12)44(7)60(85)74-49(63-70-34-37-95-63)38-45-22-16-14-17-23-45)78(10)64(88)57(42(4)5)76-65(89)68(8,9)77-67(91)94-40-46-27-29-47(30-28-46)72-61(86)48(24-20-33-71-66(69)90)73-62(87)56(41(2)3)75-52(81)26-18-15-19-35-80-53(82)31-32-54(80)83/h14,16-17,22-23,27-32,34,37,41-44,48-51,56-59H,13,15,18-21,24-26,33,35-36,38-40H2,1-12H3,(H,72,86)(H,73,87)(H,74,85)(H,75,81)(H,76,89)(H,77,91)(H3,69,71,90)/t43-,44+,48-,49-,50-,51+,56-,57-,58-,59+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C68H100N12O14S
Molecular Weight	1341.659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:02:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:21 GMT 2025`
Record UNII	N4K9I5QJ3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PELIDOTIN PYRROLE-2,5-DIONE

Common Name

English

MCVC-PABC 0101

Preferred Name

English

MCVC-PABC-AURISTATIN 0101

Code

English

L-VALINAMIDE, N-(((4-((N-(6-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-1-OXOHEXYL)-L-VALYL-N5-(AMINOCARBONYL)-L-ORNITHYL)AMINO)PHENYL)METHOXY)CARBONYL)-2-METHYLALANYL-N-((1S,2R)-2-METHOXY-4-((2S)-2-((1R,2R)-1-METHOXY-2-METHYL-3-OXO-3-(((1S)-2-PHENYL-1-(2-THI

Systematic Name

English

PF-06424469

Code

English

Code System Code Type Description

CAS

1438849-92-3

Created by admin on Mon Mar 31 22:02:21 GMT 2025 , Edited by admin on Mon Mar 31 22:02:21 GMT 2025

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SMS_ID

300000044774

Created by admin on Mon Mar 31 22:02:21 GMT 2025 , Edited by admin on Mon Mar 31 22:02:21 GMT 2025

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PUBCHEM

89582456

Created by admin on Mon Mar 31 22:02:21 GMT 2025 , Edited by admin on Mon Mar 31 22:02:21 GMT 2025

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FDA UNII

N4K9I5QJ3J

Created by admin on Mon Mar 31 22:02:21 GMT 2025 , Edited by admin on Mon Mar 31 22:02:21 GMT 2025

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					N4K9I5QJ3J

PELIDOTIN PYRROLE-2,5-DIONE

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