4-[2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[[2-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[[2-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-2-keto-ethyl]amino]-4-[[2-[[2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C34H49N9O15 MolecularWeight: 823.80416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCC(=O)N)N

InChI

InChI=1S/C34H49N9O15/c1-16(2)29(34(58)39-15-28(52)53)43-25(47)14-37-31(55)20(8-10-26(48)49)40-24(46)13-38-32(56)22(12-27(50)51)42-33(57)21(11-17-3-5-18(44)6-4-17)41-30(54)19(35)7-9-23(36)45/h3-6,16,19-22,29,44H,7-15,35H2,1-2H3,(H2,36,45)(H,37,55)(H,38,56)(H,39,58)(H,40,46)(H,41,54)(H,42,57)(H,43,47)(H,48,49)(H,50,51)(H,52,53)