1-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxohexyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxypropanoyl)amino]hexanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]-3-mercapto-propanoyl]proline Formula: C17H31N5O6S MolecularWeight: 433.52294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CO)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CO)N)C(=O)O

InChI

InChI=1S/C17H31N5O6S/c18-6-2-1-4-11(20-14(24)10(19)8-23)15(25)21-12(9-29)16(26)22-7-3-5-13(22)17(27)28/h10-13,23,29H,1-9,18-19H2,(H,20,24)(H,21,25)(H,27,28)