2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-(4-phenoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-(4-phenoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: isobutyl N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[1-[2-[[2-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-phenoxyphenyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-phenoxyphenyl)ethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[[1-[[2-[[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-phenoxyphenyl)ethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[(1S)-1-cyclohexyl-2-[[(1S)-1-[1-[2-[[2-[[(1S)-2-(cyclohexylamino)-2-keto-1-(4-phenoxyphenyl)ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamic acid isobutyl ester Formula: C47H68N6O9 MolecularWeight: 861.07762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC3CCCCC3)NC(=O)C(CC(C)C)NC(=O)C(C4CCCCC4)NC(=O)OCC(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC3CCCCC3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)OCC(C)C

InChI

InChI=1S/C47H68N6O9/c1-6-16-37(50-43(56)38(27-30(2)3)51-45(58)41(32-17-10-7-11-18-32)53-47(60)61-29-31(4)5)42(55)46(59)48-28-39(54)52-40(44(57)49-34-19-12-8-13-20-34)33-23-25-36(26-24-33)62-35-21-14-9-15-22-35/h9,14-15,21-26,30-32,34,37-38,40-41H,6-8,10-13,16-20,27-29H2,1-5H3,(H,48,59)(H,49,57)(H,50,56)(H,51,58)(H,52,54)(H,53,60)/t37?,38-,40-,41-/m0/s1