5-[[1-[[4-azanyl-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]-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-pentanoic acid

Systemtic Name: 5-[[1-[[4-azanyl-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]-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-pentanoic acid Openeye Name: 5-[[2-[[3-amino-1-[[2-[[5-amino-1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-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-[[4-amino-1-[[1-[[6-amino-1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-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-[[4-amino-1-[[1-[[6-amino-1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-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-[[3-amino-1-[[2-[[5-amino-1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]pentyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-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: C35H60N12O16 MolecularWeight: 904.9217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H60N12O16/c1-15(41-30(57)18(37)7-9-23(38)50)28(55)40-13-25(52)43-20(8-10-26(53)54)31(58)46-22(14-48)34(61)45-21(12-24(39)51)33(60)42-16(2)29(56)44-19(6-4-5-11-36)32(59)47-27(17(3)49)35(62)63/h15-22,27,48-49H,4-14,36-37H2,1-3H3,(H2,38,50)(H2,39,51)(H,40,55)(H,41,57)(H,42,60)(H,43,52)(H,44,56)(H,45,61)(H,46,58)(H,47,59)(H,53,54)(H,62,63)