4-azanyl-5-[[2-[[1-[[1-[[1-[[1-[[2-[[1-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[2-[[1-[[1-[[1-[[1-[[2-[[1-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[[3-amino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[2-[[1-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[2-[[1-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[[3-amino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]-3-keto-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C50H63N11O18 MolecularWeight: 1106.09812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H63N11O18/c1-26(50(78)79)55-45(73)35(21-38(52)64)61-48(76)36(22-42(69)70)56-39(65)24-54-44(72)32(18-27-8-4-2-5-9-27)58-46(74)33(19-28-10-6-3-7-11-28)59-47(75)34(20-29-12-14-30(63)15-13-29)60-49(77)37(25-62)57-40(66)23-53-43(71)31(51)16-17-41(67)68/h2-15,26,31-37,62-63H,16-25,51H2,1H3,(H2,52,64)(H,53,71)(H,54,72)(H,55,73)(H,56,65)(H,57,66)(H,58,74)(H,59,75)(H,60,77)(H,61,76)(H,67,68)(H,69,70)(H,78,79)