2-[[2-[2-[[2-[[1-[1-[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2-[[2-[[1-[1-[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[[2-[[1-[1-[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[[1-[[1-[5-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[2-[[2-[[1-[1-[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-[[2-[[1-[1-[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]prolyl]prolyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-3-methyl-valeric acid Formula: C47H74N16O10 MolecularWeight: 1023.19166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C47H74N16O10/c1-4-25(2)37(45(72)73)61-41(68)32(14-8-20-55-47(52)53)58-38(65)26(3)57-40(67)31(13-7-19-54-46(50)51)59-42(69)34-15-9-21-62(34)44(71)35-16-10-22-63(35)43(70)33(17-18-36(49)64)60-39(66)29(48)23-27-24-56-30-12-6-5-11-28(27)30/h5-6,11-12,24-26,29,31-35,37,56H,4,7-10,13-23,48H2,1-3H3,(H2,49,64)(H,57,67)(H,58,65)(H,59,69)(H,60,66)(H,61,68)(H,72,73)(H4,50,51,54)(H4,52,53,55)