(2S,3S)-N-[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(1R)-2-amino-1-benzyl-2-oxo-ethyl]-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[[(cyclohexylamino)-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(1R)-2-amino-1-benzyl-2-keto-ethyl]-3-(cyclohexylcarbamoylamino)-1-pyrazinoyl-pyrrolidine-2-carboxamide Formula: C26H33N7O4 MolecularWeight: 507.58472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2CCN(C2C(=O)NC(CC3=CC=CC=C3)C(=O)N)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)N[C@H]2CCN([C@@H]2C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C26H33N7O4/c27-23(34)20(15-17-7-3-1-4-8-17)31-24(35)22-19(32-26(37)30-18-9-5-2-6-10-18)11-14-33(22)25(36)21-16-28-12-13-29-21/h1,3-4,7-8,12-13,16,18-20,22H,2,5-6,9-11,14-15H2,(H2,27,34)(H,31,35)(H2,30,32,37)/t19-,20+,22-/m0/s1