N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,4R)-2-[[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,4R)-2-[[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]pyrazine-2-carboxamide Openeye Name: N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[(2S,4R)-2-[[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]carbamoyl]-4-(3-methoxyphenoxy)pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]pyrazine-2-carboxamide CAS Name: N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,4R)-2-[[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]amino]-oxomethyl]-4-(3-methoxyphenoxy)-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-pyrazinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S,4R)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide Traditional Name: N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[(2S,4R)-2-[[(1S)-1-[2-(cyclopropylamino)-2-keto-acetyl]butyl]carbamoyl]-4-(3-methoxyphenoxy)pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-keto-ethyl]pyrazinamide Formula: C40H55N7O8 MolecularWeight: 761.9068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C3CCCCC3)NC(=O)C4=NC=CN=C4)OC5=CC(=CC=C5)OC

Isomeric SMILES

CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4=NC=CN=C4)OC5=CC(=CC=C5)OC

InChI

InChI=1S/C40H55N7O8/c1-6-11-29(33(48)38(52)43-25-16-17-25)44-36(50)31-21-28(55-27-15-10-14-26(20-27)54-5)23-47(31)39(53)34(40(2,3)4)46-37(51)32(24-12-8-7-9-13-24)45-35(49)30-22-41-18-19-42-30/h10,14-15,18-20,22,24-25,28-29,31-32,34H,6-9,11-13,16-17,21,23H2,1-5H3,(H,43,52)(H,44,50)(H,45,49)(H,46,51)/t28-,29+,31+,32+,34-/m1/s1