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

Systemtic Name: (3S)-4-azanyl-3-[[1-(3-azanylpropanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[1-(3-aminopropanoyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[[1-(3-amino-1-oxopropyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[1-(3-aminopropanoyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[[1-(3-aminopropanoyl)-4-phenyl-isonipecotoyl]amino]-4-keto-butyric acid Formula: C19H26N4O5 MolecularWeight: 390.43354

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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)CCN

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5/c20-9-6-15(24)23-10-7-19(8-11-23,13-4-2-1-3-5-13)18(28)22-14(17(21)27)12-16(25)26/h1-5,14H,6-12,20H2,(H2,21,27)(H,22,28)(H,25,26)/t14-/m0/s1