4-acetamido-5-[[1-[[1-[[1-[2-[[1-[[2-[[5-azanyl-1-[[1-[[1-[(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pen

Systemtic Name: 4-acetamido-5-[[1-[[1-[[1-[2-[[1-[[2-[[5-azanyl-1-[[1-[[1-[(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pen Openeye Name: 4-acetamido-5-[[1-[[1-[[1-[2-[1-[2-[[2-[[4-amino-1-[[2-[[2-[(1-carbamoyl-2-hydroxy-propyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-acetamido-5-[[1-[[1-[[1-[2-[[[1-[[2-[[5-amino-1-[[1-[[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-acetamido-5-[[1-[[1-[[1-[2-[[1-[[2-[[5-amino-1-[[1-[[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-acetamido-5-[[1-[[1-[[1-[2-[1-[2-[[2-[[4-amino-1-[[2-[[2-[(1-carbamoyl-2-hydroxy-propyl)amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C59H87N15O20 MolecularWeight: 1326.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C(C)O)C(=O)N)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C(C)O)C(=O)N)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C

InChI

InChI=1S/C59H87N15O20/c1-8-10-35(67-56(91)41-11-9-22-74(41)59(94)47(29(4)5)72-57(92)46(28(2)3)71-53(88)38(18-21-45(82)83)68-51(86)36(65-31(7)76)17-20-44(80)81)49(84)58(93)63-26-43(79)66-37(16-19-42(60)78)52(87)70-40(24-33-25-62-27-64-33)54(89)69-39(23-32-12-14-34(77)15-13-32)55(90)73-48(30(6)75)50(61)85/h12-15,25,27-30,35-41,46-48,75,77H,8-11,16-24,26H2,1-7H3,(H2,60,78)(H2,61,85)(H,62,64)(H,63,93)(H,65,76)(H,66,79)(H,67,91)(H,68,86)(H,69,89)(H,70,87)(H,71,88)(H,72,92)(H,73,90)(H,80,81)(H,82,83)