2-azanyl-5-[[3-[3-[[5-[[5-[[5-[2-[bis(azanyl)methylideneamino]ethylcarbamoyl]-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-[2-[bis(azanyl)methylideneamino]ethylcarbamoyl]-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-(2-guanidinoethylcarbamoyl)-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-[[2-(diaminomethylideneamino)ethylamino]-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-[2-(diaminomethylideneamino)ethylcarbamoyl]-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-(2-guanidinoethylcarbamoyl)-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: C33H45ClN14O10S MolecularWeight: 865.3162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Cl

InChI

InChI=1S/C33H45ClN14O10S/c1-46-12-16(8-21(46)29(54)38-6-7-39-33(36)37)41-30(55)22-9-17(13-47(22)2)42-31(56)23-10-24(45-48(23)3)44-27(52)18(34)14-59-15-20(28(53)40-11-26(50)51)43-25(49)5-4-19(35)32(57)58/h8-10,12-13,18-20H,4-7,11,14-15,35H2,1-3H3,(H,38,54)(H,40,53)(H,41,55)(H,42,56)(H,43,49)(H,50,51)(H,57,58)(H4,36,37,39)(H,44,45,52)