2-[[2-[[2-[[6-azanyl-2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[[6-azanyl-2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[[3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-[[3-(1H-imidazol-5-yl)-2-(prolylamino)propanoyl]amino]hexanoyl]amino]-4-(methylthio)butanoyl]amino]-4-(methylthio)butanoyl]amino]acetic acid Formula: C29H49N9O7S2 MolecularWeight: 699.88546

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCCN2

Isomeric SMILES

CSCCC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCCN2

InChI

InChI=1S/C29H49N9O7S2/c1-46-12-8-21(25(41)33-16-24(39)40)36-28(44)22(9-13-47-2)37-27(43)20(6-3-4-10-30)35-29(45)23(14-18-15-31-17-34-18)38-26(42)19-7-5-11-32-19/h15,17,19-23,32H,3-14,16,30H2,1-2H3,(H,31,34)(H,33,41)(H,35,45)(H,36,44)(H,37,43)(H,38,42)(H,39,40)