Current position:Home >Product >

3-[[2-[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-4-[[1-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name:	3-[[2-[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-4-[[1-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
Openeye Name:	3-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-[[1-[[5-amino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
CAS Name:	3-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-[[1-[[6-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	3-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[6-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	3-[[2-[[2-[[5-amino-2-[[6-amino-2-[[3-(1H-indol-3-yl)-2-[[3-methyl-2-(tyrosylamino)butanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-[[1-[[5-amino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid
Formula:	C₆₁H₉₃N₁₅O₁₆
MolecularWeight:	1292.48202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C61H93N15O16/c1-31(2)49(58(88)73-45(28-48(80)81)57(87)76-51(33(5)6)59(89)71-41(16-10-12-24-62)54(84)68-34(7)61(91)92)74-47(79)30-67-53(83)43(22-23-46(65)78)70-55(85)42(17-11-13-25-63)69-56(86)44(27-36-29-66-40-15-9-8-14-38(36)40)72-60(90)50(32(3)4)75-52(82)39(64)26-35-18-20-37(77)21-19-35/h8-9,14-15,18-21,29,31-34,39,41-45,49-51,66,77H,10-13,16-17,22-28,30,62-64H2,1-7H3,(H2,65,78)(H,67,83)(H,68,84)(H,69,86)(H,70,85)(H,71,89)(H,72,90)(H,73,88)(H,74,79)(H,75,82)(H,76,87)(H,80,81)(H,91,92)

Other Product