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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26N4O6S2
Molecular Weight 530.616
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[(2S,4S)-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]disulfanylpyrrolidine-2-carbonyl]amino]benzoic acid

SMILES

OC(=O)C1=CC(NC(=O)[C@@H]2C[C@@H](CN2)SS[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(O)=O)=CC=C1

InChI

InChIKey=OUYXUDFSSQPGIH-MUGJNUQGSA-N
InChI=1S/C24H26N4O6S2/c29-21(27-15-5-1-3-13(7-15)23(31)32)19-9-17(11-25-19)35-36-18-10-20(26-12-18)22(30)28-16-6-2-4-14(8-16)24(33)34/h1-8,17-20,25-26H,9-12H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t17-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26N4O6S2
Molecular Weight 530.616
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HT4NCS6B4Q
Record Status Validated (UNII)
Record Version