(2R)-2-[6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[6-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[6-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoylamino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanoylamino]-3-mercapto-propionic acid Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCCC(=O)NC(CS)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCCC(=O)N[C@@H](CS)C(=O)O)N

InChI

InChI=1S/C18H27N3O4S/c19-14(11-13-7-3-1-4-8-13)17(23)20-10-6-2-5-9-16(22)21-15(12-26)18(24)25/h1,3-4,7-8,14-15,26H,2,5-6,9-12,19H2,(H,20,23)(H,21,22)(H,24,25)/t14-,15-/m0/s1