methyl 1-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C34H46N4O8 MolecularWeight: 638.75104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)OC)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)OC)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H46N4O8/c1-22(35-29(41)26(37-32(44)46-33(2,3)4)21-24-14-16-25(39)17-15-24)28(40)36-27(20-23-12-8-6-9-13-23)30(42)38-34(31(43)45-5)18-10-7-11-19-34/h6,8-9,12-17,22,26-27,39H,7,10-11,18-21H2,1-5H3,(H,35,41)(H,36,40)(H,37,44)(H,38,42)/t22-,26+,27+/m1/s1