methyl 2-[[2-[[2-[[1-[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[2-[[2-[[1-[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[[2-[[1-[4-amino-2-(tert-butoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[[2-[[[1-[4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-[[1-[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[[2-[[1-[4-amino-2-(tert-butoxycarbonylamino)butanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C36H58N6O9 MolecularWeight: 718.88052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCN)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H58N6O9/c1-9-22(4)29(32(46)39-27(19-21(2)3)34(48)50-8)41-30(44)26(20-23-12-14-24(43)15-13-23)38-31(45)28-11-10-18-42(28)33(47)25(16-17-37)40-35(49)51-36(5,6)7/h12-15,21-22,25-29,43H,9-11,16-20,37H2,1-8H3,(H,38,45)(H,39,46)(H,40,49)(H,41,44)