({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester (Q27466921)

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

19 October 2016

chemical formula

C₃₅H₅₄N₆O₈

1 reference

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

19 October 2016

canonical SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C2CCCCC2)NC(=O)OCC(C)C

1 reference

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

19 October 2016

isomeric SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C

1 reference

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

InChI=1S/C35H54N6O8/c1-6-13-25(30(43)34(47)37-19-27(42)40-28(31(36)44)23-14-9-7-10-15-23)38-32(45)26(18-21(2)3)39-33(46)29(24-16-11-8-12-17-24)41-35(48)49-20-22(4)5/h7,9-10,14-15,21-22,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,46)(H,40,42)(H,41,48)/t25-,26-,28-,29-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

CSOCTFLGSKTNFD-DZXSPZCNSA-N

19 October 2016

InChIKey

1 reference

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER (English)

19 October 2016

1 reference

N-{(3S)-1-[(2-{[(1S)-2-Amino-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-N~2~-{(2S)-2-cyclohexyl-2-[(isobutoxycarbonyl)amino]acetyl}-L-leucinamide (English)

19 October 2016

1 reference