4-azanyl-5-[[(2S)-3-(1H-imidazol-5-yl)-1-(2-methoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[(2S)-3-(1H-imidazol-5-yl)-1-(2-methoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[(1S)-1-(1H-imidazol-5-ylmethyl)-2-(2-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[(2S)-3-(1H-imidazol-5-yl)-1-(2-methoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[(2S)-3-(1H-imidazol-5-yl)-1-(2-methoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[(1S)-2-(2-carbomethoxypiperidino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H27N5O6 MolecularWeight: 409.43688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C18H27N5O6/c1-29-18(28)14-4-2-3-7-23(14)17(27)13(8-11-9-20-10-21-11)22-16(26)12(19)5-6-15(24)25/h9-10,12-14H,2-8,19H2,1H3,(H,20,21)(H,22,26)(H,24,25)/t12?,13-,14?/m0/s1