2-[2,5-bis(azanyl)pentanoyl-(phenylmethyl)amino]-3-phenyl-propanethioic S-acid

Systemtic Name: 2-[2,5-bis(azanyl)pentanoyl-(phenylmethyl)amino]-3-phenyl-propanethioic S-acid Openeye Name: 2-[benzyl(2,5-diaminopentanoyl)amino]-3-phenyl-propanethioic S-acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)-(phenylmethyl)amino]-3-phenylpropanethioic S-acid IUPAC Name: 2-[benzyl(2,5-diaminopentanoyl)amino]-3-phenylpropanethioic S-acid Traditional Name: 2-[benzyl(2,5-diaminopentanoyl)amino]-3-phenyl-thiopropionic acid Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)S)N(CC2=CC=CC=C2)C(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)S)N(CC2=CC=CC=C2)C(=O)C(CCCN)N

InChI

InChI=1S/C21H27N3O2S/c22-13-7-12-18(23)20(25)24(15-17-10-5-2-6-11-17)19(21(26)27)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,26,27)