(3S)-4-azanyl-3-[[1-(4-azanylbutanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-azanyl-3-[[1-(4-azanylbutanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[1-(4-aminobutanoyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[[1-(4-amino-1-oxobutyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[1-(4-aminobutanoyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[[1-(4-aminobutanoyl)-4-phenyl-isonipecotoyl]amino]-4-keto-butyric acid Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)N)C(=O)CCCN

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N)C(=O)CCCN

InChI

InChI=1S/C20H28N4O5/c21-10-4-7-16(25)24-11-8-20(9-12-24,14-5-2-1-3-6-14)19(29)23-15(18(22)28)13-17(26)27/h1-3,5-6,15H,4,7-13,21H2,(H2,22,28)(H,23,29)(H,26,27)/t15-/m0/s1