2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid Formula: C38H67N11O14S3 MolecularWeight: 998.19888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)N

InChI

InChI=1S/C38H67N11O14S3/c1-17(2)9-22(32(57)42-13-29(54)55)45-33(58)21(7-8-66-6)44-37(62)26(16-65)48-38(63)30(19(5)51)49-36(61)25(14-50)47-34(59)23(10-18(3)4)46-35(60)24(11-27(40)52)43-28(53)12-41-31(56)20(39)15-64/h17-26,30,50-51,64-65H,7-16,39H2,1-6H3,(H2,40,52)(H,41,56)(H,42,57)(H,43,53)(H,44,62)(H,45,58)(H,46,60)(H,47,59)(H,48,63)(H,49,61)(H,54,55)