(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(cyclohexoxy)-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid CAS Name: (2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[[2-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[[2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)propanoyl]prolyl]amino]acetyl]amino]-5-(cyclohexoxy)-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-6-[(2-chlorobenzyl)oxycarbonylamino]hexanoic acid Formula: C52H81ClN8O14 MolecularWeight: 1077.69774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)O)NC(=O)C(CCC(=O)OC2CCCCC2)NC(=O)CNC(=O)C3CCCN3C(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)OC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3Cl)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C52H81ClN8O14/c1-31(2)27-39(45(65)58-38(49(69)70)21-14-15-25-54-50(71)73-30-34-17-12-13-20-36(34)53)60-46(66)40(28-32(3)4)59-44(64)37(23-24-43(63)74-35-18-10-9-11-19-35)57-42(62)29-55-47(67)41-22-16-26-61(41)48(68)33(5)56-51(72)75-52(6,7)8/h12-13,17,20,31-33,35,37-41H,9-11,14-16,18-19,21-30H2,1-8H3,(H,54,71)(H,55,67)(H,56,72)(H,57,62)(H,58,65)(H,59,64)(H,60,66)(H,69,70)/t33-,37+,38+,39+,40+,41+/m1/s1