(3S)-3-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]piperidin-4-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[1-[(2S)-2-acetamido-6-azanyl-hexanoyl]piperidin-4-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]piperidine-4-carbonyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: (3S)-3-[[[1-[(2S)-2-acetamido-6-amino-1-oxohexyl]-4-piperidinyl]-oxomethyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: (3S)-3-[[1-[(2S)-2-acetamido-6-aminohexanoyl]piperidine-4-carbonyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: (3S)-3-[[1-[(2S)-2-acetamido-6-amino-hexanoyl]isonipecotoyl]amino]-4-amino-4-keto-butyric acid Formula: C18H31N5O6 MolecularWeight: 413.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)N1CCC(CC1)C(=O)NC(CC(=O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O6/c1-11(24)21-13(4-2-3-7-19)18(29)23-8-5-12(6-9-23)17(28)22-14(16(20)27)10-15(25)26/h12-14H,2-10,19H2,1H3,(H2,20,27)(H,21,24)(H,22,28)(H,25,26)/t13-,14-/m0/s1