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4-[[6-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[[5-azanyl-1-[[1-[[4-azanyl-1-[[1-[[3-(4-hydroxyphenyl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	4-[[6-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[[5-azanyl-1-[[1-[[4-azanyl-1-[[1-[[3-(4-hydroxyphenyl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	4-[[6-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-5-[[4-amino-1-[[1-[[3-amino-1-[[1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid
CAS Name:	4-[[6-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-5-[[5-amino-1-[[1-[[4-amino-1-[[1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[[6-amino-2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-[[5-amino-1-[[1-[[4-amino-1-[[1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	4-[[6-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]-4-keto-butanoyl]amino]hexanoyl]amino]-5-[[4-amino-1-[[1-[[3-amino-1-[[1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid
Formula:	C₅₂H₈₄N₁₄O₁₉
MolecularWeight:	1209.30576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H84N14O19/c1-23(2)19-32(46(78)62-33(20-27-10-12-28(69)13-11-27)49(81)65-41(24(3)4)52(84)85)61-48(80)35(22-38(56)72)64-51(83)42(26(6)68)66-45(77)30(14-16-36(54)70)59-44(76)31(15-17-39(73)74)60-43(75)29(9-7-8-18-53)58-47(79)34(21-37(55)71)63-50(82)40(57)25(5)67/h10-13,23-26,29-35,40-42,67-69H,7-9,14-22,53,57H2,1-6H3,(H2,54,70)(H2,55,71)(H2,56,72)(H,58,79)(H,59,76)(H,60,75)(H,61,80)(H,62,78)(H,63,82)(H,64,83)(H,65,81)(H,66,77)(H,73,74)(H,84,85)

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