2-azanyl-5-[[3-[3-[[5-[[5-[[5-[[5-[3-[bis(azanyl)methylideneamino]propanoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-bromanyl-3-oxidanylidene-propyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[3-[[5-[[5-[[5-[[5-[3-[bis(azanyl)methylideneamino]propanoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-bromanyl-3-oxidanylidene-propyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[2-bromo-3-[[5-[[5-[[5-[[5-(3-guanidinopropanoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxo-propyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[2-bromo-3-[[5-[[[5-[[[5-[[[5-[3-(diaminomethylideneamino)-1-oxopropyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-3-oxopropyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[2-bromo-3-[[5-[[5-[[5-[[5-[3-(diaminomethylideneamino)propanoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[2-bromo-3-[[5-[[5-[[5-[[5-(3-guanidinopropanoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-keto-propyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C40H51BrN14O11S MolecularWeight: 1015.88914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)CCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)CCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Br

InChI

InChI=1S/C40H51BrN14O11S/c1-52-14-20(9-27(52)31(56)7-8-45-40(43)44)48-36(62)29-11-22(16-54(29)3)50-38(64)30-12-23(17-55(30)4)49-37(63)28-10-21(15-53(28)2)47-34(60)24(41)18-67-19-26(35(61)46-13-33(58)59)51-32(57)6-5-25(42)39(65)66/h9-12,14-17,24-26H,5-8,13,18-19,42H2,1-4H3,(H,46,61)(H,47,60)(H,48,62)(H,49,63)(H,50,64)(H,51,57)(H,58,59)(H,65,66)(H4,43,44,45)