(4S)-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)-2-(1-methylcyclohexyl)ethanoyl]amino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (4S)-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)-2-(1-methylcyclohexyl)ethanoyl]amino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (4S)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[(2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-2-(1-methylcyclohexyl)-1-oxoethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (4S)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-diketo-propyl]-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(pivaloylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C38H61N5O6 MolecularWeight: 683.92084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(C3(CCCCC3)C)NC(=O)C(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1(C2C1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3(CCCCC3)C)NC(=O)C(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C38H61N5O6/c1-11-19-39-31(46)27(44)24(20-22-15-16-22)40-30(45)26-25-23(37(25,8)9)21-43(26)33(48)29(35(2,3)4)41-32(47)28(42-34(49)36(5,6)7)38(10)17-13-12-14-18-38/h11,22-26,28-29H,1,12-21H2,2-10H3,(H,39,46)(H,40,45)(H,41,47)(H,42,49)/t23?,24?,25?,26-,28+,29+/m0/s1