(phenylmethyl) 6-[[(5S)-6-[[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-oxidanylidene-hexyl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[[(5S)-6-[[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-oxidanylidene-hexyl]amino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 6-[[(5S)-6-[[2-[2-(benzhydrylamino)-2-oxo-ethoxy]-2-oxo-ethyl]amino]-5-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]amino]-6-oxo-hexanoate CAS Name: 6-[[(5S)-6-[[2-[2-[(diphenylmethyl)amino]-2-oxoethoxy]-2-oxoethyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-6-oxohexyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[(5S)-6-[[2-[2-(benzhydrylamino)-2-oxoethoxy]-2-oxoethyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-oxohexyl]amino]-6-oxohexanoate Traditional Name: 6-[[(5S)-6-[[2-[2-(benzhydrylamino)-2-keto-ethoxy]-2-keto-ethyl]amino]-5-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-6-keto-hexyl]amino]-6-keto-hexanoic acid benzyl ester Formula: C50H61N5O11 MolecularWeight: 908.04624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCNC(=O)CCCCC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C50H61N5O11/c1-50(2,3)66-49(63)54-41(31-35-26-28-39(56)29-27-35)48(62)53-40(23-15-16-30-51-42(57)24-13-14-25-44(59)64-33-36-17-7-4-8-18-36)47(61)52-32-45(60)65-34-43(58)55-46(37-19-9-5-10-20-37)38-21-11-6-12-22-38/h4-12,17-22,26-29,40-41,46,56H,13-16,23-25,30-34H2,1-3H3,(H,51,57)(H,52,61)(H,53,62)(H,54,63)(H,55,58)/t40-,41-/m0/s1