5-[[1-[[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]-1-oxidanylidene-propan-2-yl]amino]-4-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic

Systemtic Name: 5-[[1-[[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]-1-oxidanylidene-propan-2-yl]amino]-4-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic Openeye Name: 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]-1-methyl-2-oxo-ethyl]amino]-4-[(2,4-diamino-4-oxo-butanoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[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]-1-oxopropan-2-yl]amino]-4-[(2,4-diamino-1,4-dioxobutyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[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]-1-oxopropan-2-yl]amino]-4-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoic acid Traditional Name: 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-1-methyl-ethyl]amino]-4-[(2,4-diamino-4-keto-butanoyl)amino]-5-keto-valeric acid Formula: C55H71N13O20 MolecularWeight: 1234.22734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H71N13O20/c1-27(60-49(81)34(17-18-44(74)75)63-47(79)33(56)22-41(57)71)46(78)68-40(26-69)54(86)66-37(21-31-13-15-32(70)16-14-31)52(84)65-36(20-30-11-7-4-8-12-30)51(83)64-35(19-29-9-5-3-6-10-29)48(80)59-25-43(73)62-39(24-45(76)77)53(85)67-38(23-42(58)72)50(82)61-28(2)55(87)88/h3-16,27-28,33-40,69-70H,17-26,56H2,1-2H3,(H2,57,71)(H2,58,72)(H,59,80)(H,60,81)(H,61,82)(H,62,73)(H,63,79)(H,64,83)(H,65,84)(H,66,86)(H,67,85)(H,68,78)(H,74,75)(H,76,77)(H,87,88)