1-[2-[[1-[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[[1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-5-guanidino-pentanoyl]proline Formula: C38H54N12O7 MolecularWeight: 790.91156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)N

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)N

InChI

InChI=1S/C38H54N12O7/c1-21(2)31(48-33(52)28(16-22-18-44-26-9-4-3-8-24(22)26)47-32(51)25(39)17-23-19-42-20-45-23)36(55)49-14-6-11-29(49)34(53)46-27(10-5-13-43-38(40)41)35(54)50-15-7-12-30(50)37(56)57/h3-4,8-9,18-21,25,27-31,44H,5-7,10-17,39H2,1-2H3,(H,42,45)(H,46,53)(H,47,51)(H,48,52)(H,56,57)(H4,40,41,43)