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2-[[2-[[2-[2-[[1-[2-[2-[[2-[[5-azanyl-2-[[4-azanyl-2-[[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name:	2-[[2-[[2-[2-[[1-[2-[2-[[2-[[5-azanyl-2-[[4-azanyl-2-[[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid
Openeye Name:	2-[[2-[[2-[2-[[1-[2-[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid
CAS Name:	2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]butanedioic acid
IUPAC Name:	2-[[2-[[2-[2-[[1-[2-[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]butanedioic acid
Traditional Name:	2-[[2-[[2-[2-[[1-[2-[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoylamino]propanoyl]prolyl]amino]propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]succinic acid
Formula:	C₅₅H₈₃N₁₅O₂₁S₃
MolecularWeight:	1386.53042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H83N15O21S3/c1-24(43(78)61-26(3)54(89)70-16-9-12-37(70)52(87)59-25(2)44(79)63-33(20-40(74)75)49(84)68-36(23-93)51(86)66-34(55(90)91)21-41(76)77)60-53(88)42(27(4)71)69-46(81)30(13-14-38(57)72)62-48(83)32(19-39(58)73)65-50(85)35(22-92)67-47(82)31(18-28-10-7-6-8-11-28)64-45(80)29(56)15-17-94-5/h6-8,10-11,24-27,29-37,42,71,92-93H,9,12-23,56H2,1-5H3,(H2,57,72)(H2,58,73)(H,59,87)(H,60,88)(H,61,78)(H,62,83)(H,63,79)(H,64,80)(H,65,85)(H,66,86)(H,67,82)(H,68,84)(H,69,81)(H,74,75)(H,76,77)(H,90,91)

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