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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34N3O11PS
Molecular Weight 615.59
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of C-[(3S)-Tetrahydro-3-furanyl] N-[(1S,2R)-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)-2-(phosphonooxy)propyl]carbamate

SMILES

CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)S(=O)(=O)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=HHEVDQQNXOSEBD-OEMFJLHTSA-N
InChI=1S/C25H34N3O11PS/c1-18(2)15-27(41(35,36)22-10-8-20(9-11-22)28(30)31)16-24(39-40(32,33)34)23(14-19-6-4-3-5-7-19)26-25(29)38-21-12-13-37-17-21/h3-11,18,21,23-24H,12-17H2,1-2H3,(H,26,29)(H2,32,33,34)/t21-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34N3O11PS
Molecular Weight 615.59
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 Wed Apr 02 12:14:55 GMT 2025
Edited
by admin
on Wed Apr 02 12:14:55 GMT 2025
Record UNII
PJQ2784D84
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1-BENZYL-3-(ISOBUTYL-(4-NITRO-BENZENESULFONYL)-AMINO)-2-PHOSPHONOOXY-PROPYL)-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Preferred Name English
C-[(3S)-Tetrahydro-3-furanyl] N-[(1S,2R)-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)-2-(phosphonooxy)propyl]carbamate
Systematic Name English
CARBAMIC ACID, N-((1S,2R)-3-((2-METHYLPROPYL)((4-NITROPHENYL)SULFONYL)AMINO)-1-(PHENYLMETHYL)-2-(PHOSPHONOOXY)PROPYL)-, C-((3S)-TETRAHYDRO-3-FURANYL) ESTER
Systematic Name English
CARBAMIC ACID, ((1S,2R)-3-((2-METHYLPROPYL)((4-NITROPHENYL)SULFONYL)AMINO)-1-(PHENYLMETHYL)-2-(PHOSPHONOOXY)PROPYL)-, C-((3S)-TETRAHYDRO-3-FURANYL) ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
11308284
Created by admin on Wed Apr 02 12:14:55 GMT 2025 , Edited by admin on Wed Apr 02 12:14:55 GMT 2025
PRIMARY
FDA UNII
PJQ2784D84
Created by admin on Wed Apr 02 12:14:55 GMT 2025 , Edited by admin on Wed Apr 02 12:14:55 GMT 2025
PRIMARY
CAS
229495-87-8
Created by admin on Wed Apr 02 12:14:55 GMT 2025 , Edited by admin on Wed Apr 02 12:14:55 GMT 2025
PRIMARY