(2R)-2-[[2-azanyl-4-[(4-hexylphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: (2R)-2-[[2-azanyl-4-[(4-hexylphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[2-amino-4-[(4-hexylphenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[2-amino-4-[(4-hexylphenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: (2R)-2-[[2-amino-4-[(4-hexylphenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[2-amino-4-[(4-hexylbenzyl)amino]-4-keto-butanoyl]amino]propionic acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)N[C@H](C)C(=O)O)N

InChI

InChI=1S/C20H31N3O4/c1-3-4-5-6-7-15-8-10-16(11-9-15)13-22-18(24)12-17(21)19(25)23-14(2)20(26)27/h8-11,14,17H,3-7,12-13,21H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17?/m1/s1