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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 of XMT-1267

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
  • Download
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
Related Record Type Details
TARGET -> INHIBITOR
CONJUGATE -> TOXIN
Related Record Type Details
PARENT -> METABOLITE ACTIVE