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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-[2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]ethanoylamino]pentanoyl]amino]propanoyl]amino]propanoylamino]pentanoic acid Openeye Name: 5-guanidino-2-[2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-[[2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]propanoylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-[[2-[[4-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-[[2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]propanoylamino]pentanoic acid Traditional Name: 5-guanidino-2-[2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-[[2-[[4-methyl-2-(prolylamino)pentanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]propanoylamino]valeric acid Formula: C39H61N11O8 MolecularWeight: 811.97054

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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)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C3CCCN3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C3CCCN3

InChI

InChI=1S/C39H61N11O8/c1-21(2)16-29(49-35(54)27-12-8-14-42-27)34(53)45-20-32(51)47-30(17-22(3)4)37(56)50-31(18-24-19-44-26-11-7-6-10-25(24)26)36(55)46-23(5)33(52)48-28(38(57)58)13-9-15-43-39(40)41/h6-7,10-11,19,21-23,27-31,42,44H,8-9,12-18,20H2,1-5H3,(H,45,53)(H,46,55)(H,47,51)(H,48,52)(H,49,54)(H,50,56)(H,57,58)(H4,40,41,43)