2-acetamido-N-[6-azanyl-1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-6-methyl-5-oxidanylidene-heptanamide

Systemtic Name: 2-acetamido-N-[6-azanyl-1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-6-methyl-5-oxidanylidene-heptanamide Openeye Name: 2-acetamido-N-[5-amino-1-[[1-[[1-[[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]-6-methyl-5-oxo-heptanamide CAS Name: 2-acetamido-N-[6-amino-1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-6-methyl-5-oxoheptanamide IUPAC Name: 2-acetamido-N-[6-amino-1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-6-methyl-5-oxoheptanamide Traditional Name: 2-acetamido-N-[5-amino-1-[[1-[[1-[[2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-1-benzyl-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]-5-keto-6-methyl-enanthamide Formula: C45H68N8O8 MolecularWeight: 849.07022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H68N8O8/c1-27(2)24-36(51-41(57)33(20-14-15-23-46)49-42(58)34(48-30(7)54)21-22-38(55)28(3)4)44(60)53-39(29(5)6)45(61)52-37(26-32-18-12-9-13-19-32)43(59)50-35(40(47)56)25-31-16-10-8-11-17-31/h8-13,16-19,27-29,33-37,39H,14-15,20-26,46H2,1-7H3,(H2,47,56)(H,48,54)(H,49,58)(H,50,59)(H,51,57)(H,52,61)(H,53,60)