3-[4-azanyl-2-[3-(4-azanyl-2-methanoyl-3-oxidanylidene-2-phenoxy-5-phenyl-pentanoyl)oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-oxidanylidene-2-phenoxy-5-phenyl-pentanoyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-azanyl-2-[3-(4-azanyl-2-methanoyl-3-oxidanylidene-2-phenoxy-5-phenyl-pentanoyl)oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-oxidanylidene-2-phenoxy-5-phenyl-pentanoyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[4-amino-2-[3-(4-amino-2-formyl-3-oxo-2-phenoxy-5-phenyl-pentanoyl)oxy-2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]oxy-3-oxo-2-phenoxy-5-phenyl-pentanoyl]oxy-2-(tert-butoxycarbonylamino)-2-methyl-propanoic acid CAS Name: 3-[4-amino-2-[3-(4-amino-2-formyl-1,3-dioxo-2-phenoxy-5-phenylpentoxy)-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-1,3-dioxo-2-phenoxy-5-phenylpentoxy]-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-amino-2-[3-(4-amino-2-formyl-3-oxo-2-phenoxy-5-phenylpentanoyl)oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-oxo-2-phenoxy-5-phenylpentanoyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[4-amino-2-[3-(4-amino-2-formyl-3-keto-2-phenoxy-5-phenyl-pentanoyl)oxy-2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]oxy-3-keto-2-phenoxy-5-phenyl-pentanoyl]oxy-2-(tert-butoxycarbonylamino)-2-methyl-propionic acid Formula: C53H62N4O17 MolecularWeight: 1027.07598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(COC(=O)C(C(=O)C(CC1=CC=CC=C1)N)(OC2=CC=CC=C2)OC(=O)C(C)(COC(=O)C(C=O)(C(=O)C(CC3=CC=CC=C3)N)OC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(COC(=O)C(C(=O)C(CC1=CC=CC=C1)N)(OC2=CC=CC=C2)OC(=O)C(C)(COC(=O)C(C=O)(C(=O)C(CC3=CC=CC=C3)N)OC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C53H62N4O17/c1-48(2,3)73-46(66)56-50(7,42(61)62)32-69-45(65)53(71-37-27-19-12-20-28-37,41(60)39(55)30-35-23-15-10-16-24-35)72-43(63)51(8,57-47(67)74-49(4,5)6)33-68-44(64)52(31-58,70-36-25-17-11-18-26-36)40(59)38(54)29-34-21-13-9-14-22-34/h9-28,31,38-39H,29-30,32-33,54-55H2,1-8H3,(H,56,66)(H,57,67)(H,61,62)