5-[bis(azanyl)methylideneamino]-2-[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]pentanoic acid Openeye Name: 5-guanidino-2-[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[[2-[[4-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]pentanoic acid Traditional Name: 5-guanidino-2-[2-[[2-[[3-(4-hydroxyphenyl)-2-[2-[[4-methyl-2-(prolylamino)pentanoyl]amino]propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]valeric acid Formula: C43H61N11O9 MolecularWeight: 876.01274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C4CCCN4

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C4CCCN4

InChI

InChI=1S/C43H61N11O9/c1-23(2)19-33(53-38(58)31-11-7-17-46-31)39(59)49-25(4)37(57)52-34(20-26-13-15-28(55)16-14-26)41(61)54-35(21-27-22-48-30-10-6-5-9-29(27)30)40(60)50-24(3)36(56)51-32(42(62)63)12-8-18-47-43(44)45/h5-6,9-10,13-16,22-25,31-35,46,48,55H,7-8,11-12,17-21H2,1-4H3,(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)(H,54,61)(H,62,63)(H4,44,45,47)