5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)-naphthalen-2-yl-amino]pentanethioic S-acid

Systemtic Name: 5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)-naphthalen-2-yl-amino]pentanethioic S-acid Openeye Name: 5-amino-2-[(2-amino-3-phenyl-propanoyl)-(2-naphthyl)amino]pentanethioic S-acid CAS Name: 5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)-(2-naphthalenyl)amino]pentanethioic S-acid IUPAC Name: 5-amino-2-[(2-amino-3-phenylpropanoyl)-naphthalen-2-ylamino]pentanethioic S-acid Traditional Name: 5-amino-2-[2-naphthyl(phenylalanyl)amino]thiovaleric acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(C2=CC3=CC=CC=C3C=C2)C(CCCN)C(=O)S)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(C2=CC3=CC=CC=C3C=C2)C(CCCN)C(=O)S)N

InChI

InChI=1S/C24H27N3O2S/c25-14-6-11-22(24(29)30)27(20-13-12-18-9-4-5-10-19(18)16-20)23(28)21(26)15-17-7-2-1-3-8-17/h1-5,7-10,12-13,16,21-22H,6,11,14-15,25-26H2,(H,29,30)