(3S)-3-azanyl-4-oxidanylidene-4-[[(2R,3S,5S)-3-oxidanyl-5-phenyl-heptan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-azanyl-4-oxidanylidene-4-[[(2R,3S,5S)-3-oxidanyl-5-phenyl-heptan-2-yl]amino]butanoic acid Openeye Name: (3S)-3-amino-4-[[(1R,2S,4S)-2-hydroxy-1-methyl-4-phenyl-hexyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2R,3S,5S)-3-hydroxy-5-phenylheptan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2R,3S,5S)-3-hydroxy-5-phenylheptan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1R,2S,4S)-2-hydroxy-1-methyl-4-phenyl-hexyl]amino]-4-keto-butyric acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(C)NC(=O)C(CC(=O)O)N)O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-3-12(13-7-5-4-6-8-13)9-15(20)11(2)19-17(23)14(18)10-16(21)22/h4-8,11-12,14-15,20H,3,9-10,18H2,1-2H3,(H,19,23)(H,21,22)/t11-,12+,14+,15+/m1/s1