3-[5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-1-(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonyl-pyrrolidin-3-yl]oxypropanoic acid

Systemtic Name: 3-[5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-1-(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonyl-pyrrolidin-3-yl]oxypropanoic acid Openeye Name: 3-[5-[(2-amino-2-oxo-ethyl)carbamoyl]-1-(1-benzyloxycarbonylpyrrolidine-2-carbonyl)pyrrolidin-3-yl]oxypropanoic acid CAS Name: 3-[[5-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]-3-pyrrolidinyl]oxy]propanoic acid IUPAC Name: 3-[5-[(2-amino-2-oxoethyl)carbamoyl]-1-(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)pyrrolidin-3-yl]oxypropanoic acid Traditional Name: 3-[5-[(2-amino-2-keto-ethyl)carbamoyl]-1-(1-carbobenzoxyprolyl)pyrrolidin-3-yl]oxypropionic acid Formula: C23H30N4O8 MolecularWeight: 490.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)OCCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)OCCC(=O)O

InChI

InChI=1S/C23H30N4O8/c24-19(28)12-25-21(31)18-11-16(34-10-8-20(29)30)13-27(18)22(32)17-7-4-9-26(17)23(33)35-14-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H2,24,28)(H,25,31)(H,29,30)