methyl 2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoyl-methyl-amino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoyl-methyl-amino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[2-[[3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]-methyl-amino]-2-phenyl-acetate CAS Name: 2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]-methylamino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]-methylamino]-2-phenylacetate Traditional Name: 2-[[2-[[3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]amino]-4-methyl-pentanoyl]amino]-2-keto-hexanoyl]amino]acetyl]-methyl-amino]-2-phenyl-acetic acid methyl ester Formula: C37H57N5O9 MolecularWeight: 715.87658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H57N5O9/c1-9-16-26(31(44)34(47)38-22-28(43)42(7)30(35(48)50-8)25-19-14-11-15-20-25)39-32(45)27(21-23(2)3)40-33(46)29(24-17-12-10-13-18-24)41-36(49)51-37(4,5)6/h11,14-15,19-20,23-24,26-27,29-30H,9-10,12-13,16-18,21-22H2,1-8H3,(H,38,47)(H,39,45)(H,40,46)(H,41,49)/t26?,27-,29-,30?/m0/s1