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Details

Stereochemistry EPIMERIC
Molecular Formula C30H39N7O9S
Molecular Weight 673.737
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0
Stereo Comments Assumed epimeric

SHOW SMILES / InChI
Structure of BW-942C

SMILES

C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)[N+]([O-])=O)C(=O)N3CCC[C@H]3C(N)=O

InChI

InChIKey=GZNCHAAJGRIQGO-UCJAIZFTSA-N
InChI=1S/C30H39N7O9S/c1-47(46)14-12-23(35-28(41)22(31)15-18-6-10-21(38)11-7-18)29(42)33-17-26(39)34-24(16-19-4-8-20(9-5-19)37(44)45)30(43)36-13-2-3-25(36)27(32)40/h4-11,22-25,38H,2-3,12-17,31H2,1H3,(H2,32,40)(H,33,42)(H,34,39)(H,35,41)/t22-,23+,24-,25-,47?/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H39N7O9S
Molecular Weight 673.737
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:38 GMT 2023
Record UNII
7ATC8US66S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BW-942C
Code English
TYR-D-MET(O)-GLY-PHE(P-NO2)-PRO-NH2
Common Name English
L-TYROSYL-S-OXIDO-D-METHIONYLGLYCYL-4-NITRO-L-PHENYLALANYL-L-PROLINAMIDE
Systematic Name English
L-PROLINAMIDE, L-TYROSYL-GAMMA-(METHYLSULFINYL)-D-ALPHA-AMINOBUTYRYLGLYCYL-4-NITRO-L-PHENYLALANYL-
Systematic Name English
NIFALATIDE
Brand Name English
Code System Code Type Description
CAS
73385-60-1
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID50994102
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
FDA UNII
7ATC8US66S
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
PUBCHEM
6442055
Created by admin on Sat Dec 16 09:04:38 GMT 2023 , Edited by admin on Sat Dec 16 09:04:38 GMT 2023
PRIMARY
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