(2S)-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]-(2-sulfanylpentanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]-(2-sulfanylpentanoyl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-4-phenyl-butanoyl]-(2-sulfanylpentanoyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-4-phenylbutyl]-(2-mercapto-1-oxopentyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]-(2-sulfanylpentanoyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-4-phenyl-butanoyl]-(2-mercaptopentanoyl)amino]-3-phenyl-propionic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CCC2=CC=CC=C2)N)S

Isomeric SMILES

CCCC(C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)[C@H](CCC2=CC=CC=C2)N)S

InChI

InChI=1S/C24H30N2O4S/c1-2-9-21(31)23(28)26(20(24(29)30)16-18-12-7-4-8-13-18)22(27)19(25)15-14-17-10-5-3-6-11-17/h3-8,10-13,19-21,31H,2,9,14-16,25H2,1H3,(H,29,30)/t19-,20-,21?/m0/s1