ethyl 3-methyl-2-[[3-[4-(oxan-2-yloxy)phenyl]-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoyl]amino]pentanoate

Systemtic Name: ethyl 3-methyl-2-[[3-[4-(oxan-2-yloxy)phenyl]-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoyl]amino]pentanoate Openeye Name: ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-(4-tetrahydropyran-2-yloxyphenyl)propanoyl]amino]-3-methyl-pentanoate CAS Name: 3-methyl-2-[[3-[4-(2-oxanyloxy)phenyl]-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]propyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[4-(oxan-2-yloxy)phenyl]propanoyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-(4-tetrahydropyran-2-yloxyphenyl)propanoyl]amino]-3-methyl-valeric acid ethyl ester Formula: C40H51N3O8S MolecularWeight: 733.91324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)OC2CCCCO2)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)OC2CCCCO2)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C40H51N3O8S/c1-4-28(3)36(39(46)48-5-2)43-37(44)33(24-29-19-21-32(22-20-29)51-35-18-12-13-23-49-35)41-38(45)34(27-52-26-31-16-10-7-11-17-31)42-40(47)50-25-30-14-8-6-9-15-30/h6-11,14-17,19-22,28,33-36H,4-5,12-13,18,23-27H2,1-3H3,(H,41,45)(H,42,47)(H,43,44)