(2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanediamide

Systemtic Name: (2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanediamide Openeye Name: (2S)-2-acetamido-N-[(1R)-1-benzyl-2-[[(1S)-2-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]pentanediamide CAS Name: (2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[(2R)-2-carbamoyl-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide IUPAC Name: (2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide Traditional Name: (2S)-2-acetamido-N-[(1R)-1-benzyl-2-[[(1S)-2-[(2R)-2-carbamoylpyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]glutaramide Formula: C27H36N8O6 MolecularWeight: 568.62474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C27H36N8O6/c1-16(36)32-19(9-10-23(28)37)25(39)33-20(12-17-6-3-2-4-7-17)26(40)34-21(13-18-14-30-15-31-18)27(41)35-11-5-8-22(35)24(29)38/h2-4,6-7,14-15,19-22H,5,8-13H2,1H3,(H2,28,37)(H2,29,38)(H,30,31)(H,32,36)(H,33,39)(H,34,40)/t19-,20+,21-,22+/m0/s1