(1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(propylamino)hept-6-yn-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(propylamino)hept-6-yn-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-N-[1-[2-oxo-2-(propylamino)acetyl]pent-4-ynyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[[[1-(methylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-1-oxobutyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-N-[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[1-[2-keto-2-(propylamino)acetyl]pent-4-ynyl]-3-[(2S)-2-[[1-(mesylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C33H53N5O7S MolecularWeight: 663.86822

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)C(CCC#C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C

Isomeric SMILES

CCCNC(=O)C(=O)C(CCC#C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C

InChI

InChI=1S/C33H53N5O7S/c1-9-11-15-22(25(39)28(41)34-18-10-2)35-27(40)24-23-21(32(23,6)7)19-38(24)29(42)26(31(3,4)5)36-30(43)37-33(20-46(8,44)45)16-13-12-14-17-33/h1,21-24,26H,10-20H2,2-8H3,(H,34,41)(H,35,40)(H2,36,37,43)/t21-,22?,23-,24-,26+/m0/s1