4-[2-[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethanoylamino]-5-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethanoylamino]-5-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[2-[[5-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]propanoylamino]acetyl]amino]-5-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-5-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[2-[[5-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]acetyl]amino]-5-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[2-[[5-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]propanoylamino]acetyl]amino]-5-[(2-hydroxy-2-keto-1-methylol-ethyl)amino]-5-keto-valeric acid Formula: C49H82N14O22 MolecularWeight: 1219.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C49H82N14O22/c1-5-22(2)39(63-47(82)38(53)24(4)65)48(83)61-30(13-18-37(73)74)46(81)59-28(10-15-33(52)67)44(79)60-29(12-17-36(71)72)45(80)57-25(8-6-7-19-50)42(77)58-27(9-14-32(51)66)41(76)55-23(3)40(75)54-20-34(68)56-26(11-16-35(69)70)43(78)62-31(21-64)49(84)85/h22-31,38-39,64-65H,5-21,50,53H2,1-4H3,(H2,51,66)(H2,52,67)(H,54,75)(H,55,76)(H,56,68)(H,57,80)(H,58,77)(H,59,81)(H,60,79)(H,61,83)(H,62,78)(H,63,82)(H,69,70)(H,71,72)(H,73,74)(H,84,85)