2-[[6-azanyl-2-[[2-[2-[[2-[[5-azanyl-2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[2-[[2-[[5-azanyl-2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]pentanedioic acid Openeye Name: 2-[[6-amino-2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]pentanedioic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]pentanedioic acid IUPAC Name: 2-[[6-amino-2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-5-hydroxy-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]pentanedioic acid Traditional Name: 2-[[6-amino-2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-5-hydroxy-5-keto-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]glutaric acid Formula: C57H80N12O18 MolecularWeight: 1221.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C57H80N12O18/c1-31(49(78)67-44(29-33-10-16-36(71)17-11-33)55(84)64-39(7-3-5-27-59)51(80)66-42(57(86)87)22-25-48(76)77)62-54(83)43(28-32-8-14-35(70)15-9-32)68-52(81)40(20-23-46(61)73)65-56(85)45(30-34-12-18-37(72)19-13-34)69-53(82)41(21-24-47(74)75)63-50(79)38(60)6-2-4-26-58/h8-19,31,38-45,70-72H,2-7,20-30,58-60H2,1H3,(H2,61,73)(H,62,83)(H,63,79)(H,64,84)(H,65,85)(H,66,80)(H,67,78)(H,68,81)(H,69,82)(H,74,75)(H,76,77)(H,86,87)