(2R)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[methyl-[2-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)amino]ethyl]sulfanylphenyl]carbonyl-amino]pentanoyl]amino]ethanoylamino]-3-oxidanylidene-3-[[2-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)amino]ethyl]sulfanylphenyl]amino]propanoic acid

Systemtic Name: (2R)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[methyl-[2-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)amino]ethyl]sulfanylphenyl]carbonyl-amino]pentanoyl]amino]ethanoylamino]-3-oxidanylidene-3-[[2-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)amino]ethyl]sulfanylphenyl]amino]propanoic acid Openeye Name: (2R)-2-[[2-[[(2S)-5-guanidino-2-[methyl-[2-[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)amino]ethyl]sulfanylbenzoyl]amino]pentanoyl]amino]acetyl]amino]-3-oxo-3-[2-[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)amino]ethyl]sulfanylanilino]propanoic acid CAS Name: (2R)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[methyl-[oxo-[2-[[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxido-4-piperidin-1-iumyl)amino]ethyl]thio]phenyl]methyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-oxo-3-[2-[[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxido-4-piperidin-1-iumyl)amino]ethyl]thio]anilino]propanoic acid IUPAC Name: (2R)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[methyl-[2-[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)amino]ethyl]sulfanylbenzoyl]amino]pentanoyl]amino]acetyl]amino]-3-oxo-3-[2-[2-oxo-2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)amino]ethyl]sulfanylanilino]propanoic acid Traditional Name: (2R)-2-[[2-[[(2S)-5-guanidino-2-[[2-[[2-keto-2-[(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)amino]ethyl]thio]benzoyl]-methyl-amino]pentanoyl]amino]acetyl]amino]-3-keto-3-[2-[[2-keto-2-[(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)amino]ethyl]thio]anilino]propionic acid Formula: C47H71N11O10S2 MolecularWeight: 1014.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH+]1[O-])(C)C)NC(=O)CSC2=CC=CC=C2C(=O)N(C)C(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NC3=CC=CC=C3SCC(=O)NC4CC([NH+](C(C4)(C)C)[O-])(C)C)C(=O)O)C

Isomeric SMILES

CC1(CC(CC([NH+]1[O-])(C)C)NC(=O)CSC2=CC=CC=C2C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(=O)NC3=CC=CC=C3SCC(=O)NC4CC([NH+](C(C4)(C)C)[O-])(C)C)C(=O)O)C

InChI

InChI=1S/C47H71N11O10S2/c1-44(2)21-28(22-45(3,4)57(44)67)52-36(60)26-69-33-18-12-10-15-30(33)41(64)56(9)32(17-14-20-50-43(48)49)39(62)51-25-35(59)55-38(42(65)66)40(63)54-31-16-11-13-19-34(31)70-27-37(61)53-29-23-46(5,6)58(68)47(7,8)24-29/h10-13,15-16,18-19,28-29,32,38,57-58H,14,17,20-27H2,1-9H3,(H,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,59)(H,65,66)(H4,48,49,50)/t32-,38+/m0/s1