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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40N4O6
Molecular Weight 540.6511
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLLAGENASE INHIBITOR CI-1

SMILES

CNC(=O)[C@H](CC1=CC=C(OC)C=C1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=CEZWBEWZEZTEHO-DSITVLBTSA-N
InChI=1S/C29H40N4O6/c1-19(2)16-24(28(36)33-25(27(35)30-3)17-21-10-12-22(39-4)13-11-21)32-23(29(37)38)14-15-31-26(34)18-20-8-6-5-7-9-20/h5-13,19,23-25,32H,14-18H2,1-4H3,(H,30,35)(H,31,34)(H,33,36)(H,37,38)/t23-,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H40N4O6
Molecular Weight 540.6511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:54 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:54 GMT 2023
Record UNII
5NK303IGZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLLAGENASE INHIBITOR CI-1
Common Name English
L-TYROSINAMIDE, N-(1-CARBOXY-3-((PHENYLACETYL)AMINO)PROPYL)-L-LEUCYL-N,O-DIMETHYL-, (R)-
Systematic Name English
Code System Code Type Description
CAS
96134-83-7
Created by admin on Sat Dec 16 10:14:54 GMT 2023 , Edited by admin on Sat Dec 16 10:14:54 GMT 2023
PRIMARY
PUBCHEM
121231161
Created by admin on Sat Dec 16 10:14:54 GMT 2023 , Edited by admin on Sat Dec 16 10:14:54 GMT 2023
PRIMARY
SMS_ID
100000183649
Created by admin on Sat Dec 16 10:14:54 GMT 2023 , Edited by admin on Sat Dec 16 10:14:54 GMT 2023
PRIMARY
FDA UNII
5NK303IGZF
Created by admin on Sat Dec 16 10:14:54 GMT 2023 , Edited by admin on Sat Dec 16 10:14:54 GMT 2023
PRIMARY