XMT-1267

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H74N6O8
Molecular Weight	803.0847
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@@]1([H])[C@@]([H])([C@@]([H])(C)C(=N[C@@]([H])(Cc2ccccc2)C(=NCCCO)O)O)OC)OC)N(C)C(=O)[C@]([H])(C(C)C)N=C([C@]([H])(C(C)C)N(C)C)O

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	803.0847
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 `Sat Jun 26 00:11:47 UTC 2021` Edited by `admin` on `Sat Jun 26 00:11:47 UTC 2021`
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 Sat Jun 26 00:11:47 UTC 2021 , Edited by admin on Sat Jun 26 00:11:47 UTC 2021

PRIMARY

CAS

1415659-09-4

Created by admin on Sat Jun 26 00:11:47 UTC 2021 , Edited by admin on Sat Jun 26 00:11:47 UTC 2021

PRIMARY

FDA UNII

7A55BK9DV3

Created by admin on Sat Jun 26 00:11:47 UTC 2021 , Edited by admin on Sat Jun 26 00:11:47 UTC 2021

PRIMARY

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