(3S)-3-[[1-[(2S)-2-acetamido-5-azanyl-pentanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[1-[(2S)-2-acetamido-5-azanyl-pentanoyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[1-[(2S)-2-acetamido-5-amino-pentanoyl]-4-phenyl-piperidine-4-carbonyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: (3S)-3-[[[1-[(2S)-2-acetamido-5-amino-1-oxopentyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: (3S)-3-[[1-[(2S)-2-acetamido-5-aminopentanoyl]-4-phenylpiperidine-4-carbonyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: (3S)-3-[[1-[(2S)-2-acetamido-5-amino-pentanoyl]-4-phenyl-isonipecotoyl]amino]-4-amino-4-keto-butyric acid Formula: C23H33N5O6 MolecularWeight: 475.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCCN)C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C23H33N5O6/c1-15(29)26-17(8-5-11-24)21(33)28-12-9-23(10-13-28,16-6-3-2-4-7-16)22(34)27-18(20(25)32)14-19(30)31/h2-4,6-7,17-18H,5,8-14,24H2,1H3,(H2,25,32)(H,26,29)(H,27,34)(H,30,31)/t17-,18-/m0/s1