(1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(2,3-dihydro-1H-inden-2-yl)ethanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(2,3-dihydro-1H-inden-2-yl)ethanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-oxo-acetyl]butyl]-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-indan-2-yl-acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)-1-oxoethyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-keto-acetyl]butyl]-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-indan-2-yl-acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C40H59N5O7S MolecularWeight: 753.99076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC=C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3CC4=CC=CC=C4C3)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3CC4=CC=CC=C4C3)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C40H59N5O7S/c1-8-15-29(33(46)35(48)41-20-9-2)42-34(47)32-30-28(39(30,6)7)23-45(32)36(49)31(27-21-25-16-11-12-17-26(25)22-27)43-37(50)44-40(18-13-10-14-19-40)24-53(51,52)38(3,4)5/h9,11-12,16-17,27-32H,2,8,10,13-15,18-24H2,1,3-7H3,(H,41,48)(H,42,47)(H2,43,44,50)/t28-,29?,30-,31-,32-/m0/s1