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4-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	4-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	4-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-[[2-[[1-[[4-hydroxy-1-[2-[[2-hydroxy-1-[[1-[[4-hydroxy-1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name:	4-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-methyl-1-oxopentyl]amino]-5-[[2-[[1-[[5-hydroxy-1-[2-[[[3-hydroxy-1-[[1-[[5-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]-5-[[2-[[1-[[5-hydroxy-1-[2-[[3-hydroxy-1-[[1-[[5-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Traditional Name:	4-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]-5-[[2-[[1-[[4-hydroxy-1-[2-[[2-hydroxy-1-[[1-[[4-hydroxy-1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid
Formula:	C₅₆H₈₇N₁₁O₂₁
MolecularWeight:	1250.35108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C56H87N11O21/c1-9-28(6)45(65-51(82)43(57)29(7)68)53(84)60-33(16-19-40(72)73)47(78)58-25-39(71)59-36(23-26(2)3)49(80)62-35(18-21-42(76)77)55(86)67-22-10-11-38(67)50(81)66-46(30(8)69)54(85)64-44(27(4)5)52(83)61-34(17-20-41(74)75)48(79)63-37(56(87)88)24-31-12-14-32(70)15-13-31/h12-15,26-30,33-38,43-46,68-70H,9-11,16-25,57H2,1-8H3,(H,58,78)(H,59,71)(H,60,84)(H,61,83)(H,62,80)(H,63,79)(H,64,85)(H,65,82)(H,66,81)(H,72,73)(H,74,75)(H,76,77)(H,87,88)

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