2-[[2-[[2-[[2-[[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C43H81N11O9S MolecularWeight: 928.23654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCSC)N

InChI

InChI=1S/C43H81N11O9S/c1-12-27(10)35(41(61)52-32(20-25(6)7)39(59)51-31(19-24(4)5)40(60)53-33(42(62)63)21-26(8)9)54-37(57)29(14-13-16-47-43(45)46)50-38(58)30(18-23(2)3)49-34(55)22-48-36(56)28(44)15-17-64-11/h23-33,35H,12-22,44H2,1-11H3,(H,48,56)(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,57)(H,62,63)(H4,45,46,47)