(2R)-N-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-pentan-2-yl]-2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanamide

Systemtic Name: (2R)-N-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-pentan-2-yl]-2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanamide Openeye Name: (2R)-N-[(1R)-4-guanidino-1-(hydroxymethyl)butyl]-2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanyl-propanamide CAS Name: (2R)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-3-mercapto-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propanamide IUPAC Name: (2R)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanylpropanamide Traditional Name: (2R)-N-[(1R)-4-guanidino-1-methylol-butyl]-3-mercapto-2-[[2-(4-phenylphenyl)acetyl]amino]propionamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC(CS)C(=O)NC(CCCN=C(N)N)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)N[C@@H](CS)C(=O)N[C@H](CCCN=C(N)N)CO

InChI

InChI=1S/C23H31N5O3S/c24-23(25)26-12-4-7-19(14-29)27-22(31)20(15-32)28-21(30)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,29,32H,4,7,12-15H2,(H,27,31)(H,28,30)(H4,24,25,26)/t19-,20+/m1/s1