methyl 3-methyl-2-[2-[[2-[(4-phenylphenyl)methylamino]-3-sulfanyl-pentanoyl]amino]ethanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-[[2-[(4-phenylphenyl)methylamino]-3-sulfanyl-pentanoyl]amino]ethanoylamino]butanoate Openeye Name: methyl 3-methyl-2-[[2-[[2-[(4-phenylphenyl)methylamino]-3-sulfanyl-pentanoyl]amino]acetyl]amino]butanoate CAS Name: 2-[[2-[[3-mercapto-1-oxo-2-[(4-phenylphenyl)methylamino]pentyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[[2-[(4-phenylphenyl)methylamino]-3-sulfanylpentanoyl]amino]acetyl]amino]butanoate Traditional Name: 2-[[2-[[3-mercapto-2-[(4-phenylbenzyl)amino]pentanoyl]amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)NCC(=O)NC(C(C)C)C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2)S

Isomeric SMILES

CCC(C(C(=O)NCC(=O)NC(C(C)C)C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2)S

InChI

InChI=1S/C26H35N3O4S/c1-5-21(34)24(25(31)28-16-22(30)29-23(17(2)3)26(32)33-4)27-15-18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,17,21,23-24,27,34H,5,15-16H2,1-4H3,(H,28,31)(H,29,30)