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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H54N6O7S
Molecular Weight 738.936
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KNI-10247

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3=CC=CC=C3)C(C)(C)C)C(N)=O

InChI

InChIKey=RKSPAGPRMDSVCQ-QQFWJEKMSA-N
InChI=1S/C38H54N6O7S/c1-9-22(2)27(32(39)47)42-35(50)31-38(7,8)52-21-44(31)36(51)29(46)26(20-24-16-12-10-13-17-24)41-34(49)30(37(4,5)6)43-33(48)28(40-23(3)45)25-18-14-11-15-19-25/h10-19,22,26-31,46H,9,20-21H2,1-8H3,(H2,39,47)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t22-,26-,27-,28-,29-,30+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H54N6O7S
Molecular Weight 738.936
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:45:05 GMT 2023
Edited
by admin
on Sat Dec 16 09:45:05 GMT 2023
Record UNII
LAN7EUJ5J4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KNI-10247
Code English
KNI10247
Code English
L-ISOLEUCINAMIDE, (2S)-N-ACETYL-2-PHENYLGLYCYL-3-METHYL-L-VALYL-(.ALPHA.S,.BETA.S)-.BETA.-AMINO-.ALPHA.-HYDROXYBENZENEBUTANOYL-(4R)-5,5-DIMETHYL-4-THIAZOLIDINECARBONYL-
Systematic Name English
(2S)-N-ACETYL-2-PHENYLGLYCYL-3-METHYL-L-VALYL-(.ALPHA.S,.BETA.S)-.BETA.-AMINO-.ALPHA.-HYDROXYBENZENEBUTANOYL-(4R)-5,5-DIMETHYL-4-THIAZOLIDINECARBONYL-L-ISOLEUCINAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
44560418
Created by admin on Sat Dec 16 09:45:05 GMT 2023 , Edited by admin on Sat Dec 16 09:45:05 GMT 2023
PRIMARY
CAS
919987-80-7
Created by admin on Sat Dec 16 09:45:05 GMT 2023 , Edited by admin on Sat Dec 16 09:45:05 GMT 2023
PRIMARY
FDA UNII
LAN7EUJ5J4
Created by admin on Sat Dec 16 09:45:05 GMT 2023 , Edited by admin on Sat Dec 16 09:45:05 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY