1-[2-[[6-azanyl-2-(2-azanylethanoylamino)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-methyl-amino]ethanoyl]-1-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-(2-azanylethanoylamino)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-methyl-amino]ethanoyl]-1-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-aminoacetyl)amino]-7-benzyloxy-7-oxo-heptanoyl]-methyl-amino]acetyl]-1-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-1-oxoethyl)amino]-1,7-dioxo-7-phenylmethoxyheptyl]-methylamino]-1-oxoethyl]-1-[butoxy(oxo)methyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-aminoacetyl)amino]-7-oxo-7-phenylmethoxyheptanoyl]-methylamino]acetyl]-1-butoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-7-benzoxy-2-(glycylamino)-7-keto-heptanoyl]-methyl-amino]acetyl]-1-butoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C29H44N5O9+ MolecularWeight: 606.68776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)[N+]1(CCCC1C(=O)O)C(=O)CN(C)C(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)NC(=O)CN

Isomeric SMILES

CCCCOC(=O)[N+]1(CCCC1C(=O)O)C(=O)CN(C)C(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)NC(=O)CN

InChI

InChI=1S/C29H43N5O9/c1-3-4-16-42-29(41)34(15-9-14-23(34)27(38)39)25(36)18-33(2)26(37)22(32-24(35)17-30)13-8-12-21(31)28(40)43-19-20-10-6-5-7-11-20/h5-7,10-11,21-23H,3-4,8-9,12-19,30-31H2,1-2H3,(H-,32,35,38,39)/p+1