2-[(3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbonylamino]propanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbonylamino]propanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-(2-methoxy-2-oxo-ethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[(3S)-3-(2-methoxy-2-oxoethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-oxomethyl]amino]-1-oxopropyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[(3S)-3-(2-methoxy-2-oxoethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-(2-keto-2-methoxy-ethyl)-4-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoyl]piperazino]acetic acid Formula: C29H31N5O9 MolecularWeight: 593.58454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=C(C=C3)OC)C(=O)N4CCN(C(=O)C4CC(=O)OC)CC(=O)O

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)OC)C(=O)N4CCN(C(=O)[C@@H]4CC(=O)OC)CC(=O)O

InChI

InChI=1S/C29H31N5O9/c1-17-30-26(32-43-17)19-6-8-20(9-7-19)27(38)31-22(14-18-4-10-21(41-2)11-5-18)28(39)34-13-12-33(16-24(35)36)29(40)23(34)15-25(37)42-3/h4-11,22-23H,12-16H2,1-3H3,(H,31,38)(H,35,36)/t22-,23-/m0/s1