(3S)-4-azanyl-3-[[1-(5-azanylpentanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-azanyl-3-[[1-(5-azanylpentanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[1-(5-aminopentanoyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[[1-(5-amino-1-oxopentyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[1-(5-aminopentanoyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[[1-(5-aminopentanoyl)-4-phenyl-isonipecotoyl]amino]-4-keto-butyric acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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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)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c22-11-5-4-8-17(26)25-12-9-21(10-13-25,15-6-2-1-3-7-15)20(30)24-16(19(23)29)14-18(27)28/h1-3,6-7,16H,4-5,8-14,22H2,(H2,23,29)(H,24,30)(H,27,28)/t16-/m0/s1