4-oxidanylidene-4-[[2-oxidanylidene-2-[[2-oxidanylidene-2-[[2-oxidanyl-3-[2-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)-propan-2-yl-amino]ethanoyl-propan-2-yl-amino]ethanoyl-(phenylmethyl)amino]propyl]-(phenylmethyl)amino]ethyl]-propan-2-yl-amino]ethyl]-propan-2-yl-amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-oxidanylidene-2-[[2-oxidanylidene-2-[[2-oxidanyl-3-[2-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)-propan-2-yl-amino]ethanoyl-propan-2-yl-amino]ethanoyl-(phenylmethyl)amino]propyl]-(phenylmethyl)amino]ethyl]-propan-2-yl-amino]ethyl]-propan-2-yl-amino]butanoic acid Openeye Name: 4-[[2-[[2-[benzyl-[3-[benzyl-[2-[[2-[(4-hydroxy-4-oxo-butanoyl)-isopropyl-amino]acetyl]-isopropyl-amino]acetyl]amino]-2-hydroxy-propyl]amino]-2-oxo-ethyl]-isopropyl-amino]-2-oxo-ethyl]-isopropyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[[2-[[2-hydroxy-3-[[2-[[2-[(4-hydroxy-1,4-dioxobutyl)-propan-2-ylamino]-1-oxoethyl]-propan-2-ylamino]-1-oxoethyl]-(phenylmethyl)amino]propyl]-(phenylmethyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[[2-[benzyl-[3-[benzyl-[2-[[2-[(4-hydroxy-4-oxobutanoyl)-propan-2-ylamino]acetyl]-propan-2-ylamino]acetyl]amino]-2-hydroxypropyl]amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-[[2-[benzyl-[3-[benzyl-[2-[[2-[(4-hydroxy-4-keto-butanoyl)-isopropyl-amino]acetyl]-isopropyl-amino]acetyl]amino]-2-hydroxy-propyl]amino]-2-keto-ethyl]-isopropyl-amino]-2-keto-ethyl]-isopropyl-amino]-4-keto-butyric acid Formula: C45H66N6O11 MolecularWeight: 867.03914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)C(=O)CN(C(C)C)C(=O)CCC(=O)O)O)C(C)C)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)N(CC(=O)N(CC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)C(=O)CN(C(C)C)C(=O)CCC(=O)O)O)C(C)C)C(=O)CCC(=O)O

InChI

InChI=1S/C45H66N6O11/c1-31(2)48(38(53)19-21-44(59)60)29-42(57)50(33(5)6)27-40(55)46(23-35-15-11-9-12-16-35)25-37(52)26-47(24-36-17-13-10-14-18-36)41(56)28-51(34(7)8)43(58)30-49(32(3)4)39(54)20-22-45(61)62/h9-18,31-34,37,52H,19-30H2,1-8H3,(H,59,60)(H,61,62)