2-[[1-[6-azanyl-2-(2-azanylethanoylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-(2-azanylethanoylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-1-oxoethyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[6-amino-2-(glycylamino)hexanoyl]prolyl]amino]-4-(methylthio)butyric acid Formula: C18H33N5O5S MolecularWeight: 431.55012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CN

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CN

InChI

InChI=1S/C18H33N5O5S/c1-29-10-7-13(18(27)28)22-16(25)14-6-4-9-23(14)17(26)12(5-2-3-8-19)21-15(24)11-20/h12-14H,2-11,19-20H2,1H3,(H,21,24)(H,22,25)(H,27,28)