4-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-5-[[2-[[1-[[3-(4-hydroxyphenyl)-1-[[2-[[3-methyl-1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-5-[[2-[[1-[[3-(4-hydroxyphenyl)-1-[[2-[[3-methyl-1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-[[1-[[2-[[2-[[1-[[1-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-4-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-5-[[2-[[3-hydroxy-1-[[1-[[2-[[1-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-(2,6-diaminohexanoylamino)-3-methylpentanoyl]amino]acetyl]amino]-5-[[2-[[3-hydroxy-1-[[1-[[2-[[1-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-[[2-[[2-[[1-[[1-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-ethyl]amino]-4-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C55H84N12O16 MolecularWeight: 1169.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H84N12O16/c1-8-31(6)46(67-48(75)36(57)16-12-13-23-56)51(78)60-26-40(70)61-37(21-22-43(73)74)49(76)58-28-42(72)65-47(32(7)68)54(81)62-38(24-34-17-19-35(69)20-18-34)50(77)59-27-41(71)64-44(29(2)3)53(80)66-45(30(4)5)52(79)63-39(55(82)83)25-33-14-10-9-11-15-33/h9-11,14-15,17-20,29-32,36-39,44-47,68-69H,8,12-13,16,21-28,56-57H2,1-7H3,(H,58,76)(H,59,77)(H,60,78)(H,61,70)(H,62,81)(H,63,79)(H,64,71)(H,65,72)(H,66,80)(H,67,75)(H,73,74)(H,82,83)