2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[(2-acetamido-5-tert-butoxy-5-oxo-pentanoyl)amino]-5-tert-butoxy-5-oxo-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentyl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[(2-acetamido-5-tert-butoxy-5-keto-pentanoyl)amino]-5-tert-butoxy-5-keto-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]acetic acid Formula: C53H85N9O18 MolecularWeight: 1136.2915

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C53H85N9O18/c1-32(63)57-37(24-26-41(66)77-50(2,3)4)45(70)60-38(25-27-42(67)78-51(5,6)7)46(71)61-39(30-33-20-22-34(23-21-33)62(75)76)47(72)59-36(19-15-17-29-55-49(74)80-53(11,12)13)44(69)58-35(43(68)56-31-40(64)65)18-14-16-28-54-48(73)79-52(8,9)10/h20-23,35-39H,14-19,24-31H2,1-13H3,(H,54,73)(H,55,74)(H,56,68)(H,57,63)(H,58,69)(H,59,72)(H,60,70)(H,61,71)(H,64,65)