2-[[1-[2-[[2-[[2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[1-[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[1-[2-[[2-[[2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]prolyl]amino]glutaric acid Formula: C36H63N11O12S MolecularWeight: 874.01692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C36H63N11O12S/c1-18(2)16-21(37)29(52)46-25(17-48)32(55)41-19(3)28(51)43-22(8-6-13-40-36(38)39)31(54)44-23(12-15-60-5)30(53)42-20(4)34(57)47-14-7-9-26(47)33(56)45-24(35(58)59)10-11-27(49)50/h18-26,48H,6-17,37H2,1-5H3,(H,41,55)(H,42,53)(H,43,51)(H,44,54)(H,45,56)(H,46,52)(H,49,50)(H,58,59)(H4,38,39,40)