2-[[2-[[2-[[4-azanyl-2-[[2-[2-[[1-[2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[4-azanyl-2-[[2-[2-[[1-[2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[4-amino-2-[[2-[2-[[1-[2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[[1-[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[4-amino-2-[[2-[2-[[1-[2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[4-amino-2-[[2-[2-[[1-[2-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-valeric acid Formula: C60H88N12O19 MolecularWeight: 1281.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C60H88N12O19/c1-9-30(5)48(70-52(82)38(61)24-29(3)4)58(88)64-33(8)51(81)69-43(26-35-15-19-37(74)20-16-35)59(89)72-23-11-12-44(72)57(87)63-32(7)50(80)66-40(25-34-13-17-36(73)18-14-34)54(84)67-41(27-45(62)75)55(85)68-42(28-47(78)79)56(86)65-39(21-22-46(76)77)53(83)71-49(60(90)91)31(6)10-2/h13-20,29-33,38-44,48-49,73-74H,9-12,21-28,61H2,1-8H3,(H2,62,75)(H,63,87)(H,64,88)(H,65,86)(H,66,80)(H,67,84)(H,68,85)(H,69,81)(H,70,82)(H,71,83)(H,76,77)(H,78,79)(H,90,91)