Current position:Home >Product >

1-[2-[[1-[1-[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[6-azanyl-2-[[1-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name:	1-[2-[[1-[1-[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[6-azanyl-2-[[1-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
Openeye Name:	1-[2-[[1-[1-[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[1-(2-amino-5-hydroxy-5-oxo-pentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
CAS Name:	1-[2-[[[1-[[1-[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[[1-(2-amino-5-hydroxy-1,5-dioxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:	1-[2-[[1-[1-[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[1-(2-amino-5-hydroxy-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Traditional Name:	1-[2-[[1-[1-[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[1-(2-amino-5-hydroxy-5-keto-pentanoyl)prolyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-mercapto-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]prolyl]prolyl]amino]-3-mercapto-propanoyl]proline
Formula:	C₆₇H₁₀₇N₁₉O₂₃S₃
MolecularWeight:	1642.87498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CS)C(=O)N4CCCC4C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(CCC(=O)O)N)O

Isomeric SMILES

InChI

InChI=1S/C67H107N19O23S3/c1-33(88)51(81-54(95)38(12-4-6-20-69)73-55(96)40(26-50(92)93)75-58(99)42(29-110)78-57(98)41(28-87)77-53(94)37(11-3-5-19-68)74-59(100)45-13-7-21-83(45)63(104)36(70)17-18-49(90)91)61(102)76-39(25-35-27-71-32-72-35)56(97)82-52(34(2)89)62(103)80-44(31-112)64(105)85-23-9-15-47(85)66(107)84-22-8-14-46(84)60(101)79-43(30-111)65(106)86-24-10-16-48(86)67(108)109/h27,32-34,36-48,51-52,87-89,110-112H,3-26,28-31,68-70H2,1-2H3,(H,71,72)(H,73,96)(H,74,100)(H,75,99)(H,76,102)(H,77,94)(H,78,98)(H,79,101)(H,80,103)(H,81,95)(H,82,97)(H,90,91)(H,92,93)(H,108,109)

Other Product