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-pyrazol-3-yl]amino]-2-chloranyl-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-pyrazol-3-yl]amino]-2-chloranyl-3-oxidanylidene-propyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[2-chloro-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-pyrazol-3-yl]amino]-3-oxo-propyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[2-chloro-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-pyrazolyl]amino]-3-oxopropyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[2-chloro-3-[[5-[[5-[[5-[[5-[3-(diaminomethylideneamino)propanoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]amino]-3-oxopropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[2-chloro-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-pyrazol-3-yl]amino]-3-keto-propyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C39H50ClN15O11S MolecularWeight: 972.4262

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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(=NN4C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

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(=NN4C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

InChI

InChI=1S/C39H50ClN15O11S/c1-52-14-19(9-25(52)29(56)7-8-44-39(42)43)46-35(62)26-10-20(15-53(26)2)47-36(63)27-11-21(16-54(27)3)48-37(64)28-12-30(51-55(28)4)50-33(60)22(40)17-67-18-24(34(61)45-13-32(58)59)49-31(57)6-5-23(41)38(65)66/h9-12,14-16,22-24H,5-8,13,17-18,41H2,1-4H3,(H,45,61)(H,46,62)(H,47,63)(H,48,64)(H,49,57)(H,58,59)(H,65,66)(H4,42,43,44)(H,50,51,60)