2-[[2-[2-[3-[2-[[2-[[2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-[3-[2-[[2-[[2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-[3-[2-[[2-[[2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[[3-[[2-[[2-[[2-[[1-azepanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-[3-[2-[[2-[[2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-[3-[2-[[2-[[2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propionic acid Formula: C51H67N9O10 MolecularWeight: 966.13198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NCCC(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)N5CCCCCC5

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NCCC(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)N5CCCCCC5

InChI

InChI=1S/C51H67N9O10/c1-31(2)26-40(59-51(70)60-24-12-5-6-13-25-60)48(66)57-42(29-36-30-53-39-17-11-10-16-38(36)39)47(65)55-32(3)45(63)52-23-22-44(62)54-33(4)46(64)56-41(27-35-18-20-37(61)21-19-35)49(67)58-43(50(68)69)28-34-14-8-7-9-15-34/h7-11,14-21,30-33,40-43,53,61H,5-6,12-13,22-29H2,1-4H3,(H,52,63)(H,54,62)(H,55,65)(H,56,64)(H,57,66)(H,58,67)(H,59,70)(H,68,69)