XMT-1267

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H74N6O8
Molecular Weight	803.0831
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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](CC2=CC=CC=C2)C(=O)NCCCO)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChIKey=XHXOHGJMQNOIIO-LMPBRMKVSA-N

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

HIDE SMILES / InChI

Molecular Formula	C43H74N6O8
Molecular Weight	803.0831
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sun Dec 18 14:16:34 UTC 2022` Edited by `admin` on `Sun Dec 18 14:16:34 UTC 2022`
Record UNII	7A55BK9DV3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XMT-1267

Code

English

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

Systematic Name

English

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)-

Systematic Name

English

AURISTATIN F-HPA

Common Name

English

AURISTATIN F HYDROXYPROPYLAMIDE

Common Name

English

Code System Code Type Description

PUBCHEM

71135741

Created by admin on Sun Dec 18 14:16:34 UTC 2022 , Edited by admin on Sun Dec 18 14:16:34 UTC 2022

PRIMARY

CAS

1415659-09-4

Created by admin on Sun Dec 18 14:16:34 UTC 2022 , Edited by admin on Sun Dec 18 14:16:34 UTC 2022

PRIMARY

FDA UNII

7A55BK9DV3

Created by admin on Sun Dec 18 14:16:34 UTC 2022 , Edited by admin on Sun Dec 18 14:16:34 UTC 2022

PRIMARY

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