(phenylmethyl) N-[(2S)-1-[[2-[[(1S,6R)-6-aminocarbonylcyclohex-2-en-1-yl]carbamoyl]cyclohexyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[2-[[(1S,6R)-6-aminocarbonylcyclohex-2-en-1-yl]carbamoyl]cyclohexyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[2-[[(1S,6R)-6-carbamoylcyclohex-2-en-1-yl]carbamoyl]cyclohexyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[2-[[[(1S,6R)-6-carbamoyl-1-cyclohex-2-enyl]amino]-oxomethyl]cyclohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[2-[[(1S,6R)-6-carbamoylcyclohex-2-en-1-yl]carbamoyl]cyclohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[2-[[(1S,6R)-6-carbamoylcyclohex-2-en-1-yl]carbamoyl]cyclohexyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C31H38N4O6 MolecularWeight: 562.65662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2C=CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)C(=O)N[C@H]2C=CCC[C@H]2C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O6/c32-28(37)23-10-4-6-12-25(23)33-29(38)24-11-5-7-13-26(24)34-30(39)27(18-20-14-16-22(36)17-15-20)35-31(40)41-19-21-8-2-1-3-9-21/h1-3,6,8-9,12,14-17,23-27,36H,4-5,7,10-11,13,18-19H2,(H2,32,37)(H,33,38)(H,34,39)(H,35,40)/t23-,24?,25+,26?,27+/m1/s1