5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-azanyl-1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[2-[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethanoylamino]-5-oxidanylidene-pentanoi

Systemtic Name: 5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-azanyl-1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[2-[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]propanoylamino]ethanoylamino]-5-oxidanylidene-pentanoi Openeye Name: 5-[[2-[[1-[[1-[[1-[[1-[[2-[[5-amino-1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-[[2-[2-[(2,5-diamino-5-oxo-pentanoyl)amino]propanoylamino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-[[1-[[1-[[1-[[2-[[5-amino-1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]pentyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-4-[[2-[2-[(2,5-diamino-5-keto-pentanoyl)amino]propanoylamino]acetyl]amino]-5-keto-valeric acid Formula: C50H84N14O23 MolecularWeight: 1249.28196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCC(=O)N)N

InChI

InChI=1S/C50H84N14O23/c1-7-21(2)37(48(84)63-38(24(5)66)49(85)56-23(4)41(77)58-27(10-8-9-17-51)44(80)64-39(25(6)67)50(86)87)62-45(81)29(13-16-35(72)73)59-46(82)30(18-36(74)75)60-47(83)31(20-65)61-43(79)28(12-15-34(70)71)57-33(69)19-54-40(76)22(3)55-42(78)26(52)11-14-32(53)68/h21-31,37-39,65-67H,7-20,51-52H2,1-6H3,(H2,53,68)(H,54,76)(H,55,78)(H,56,85)(H,57,69)(H,58,77)(H,59,82)(H,60,83)(H,61,79)(H,62,81)(H,63,84)(H,64,80)(H,70,71)(H,72,73)(H,74,75)(H,86,87)