(2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]-1-benzyloxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-[2-[[(2S)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-carbobenzoxy-1-[2-[[(2S)-2-[[(2S)-1-glycylprolyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidin-1-ium-2-carboxylic acid Formula: C28H40N5O8+ MolecularWeight: 574.6459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)[N+]1(CCCC1C(=O)O)C(=O)OCC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)CN

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)[N+]1(CCC[C@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CN

InChI

InChI=1S/C28H39N5O8/c1-18(2)14-20(31-26(37)21-10-6-12-32(21)23(34)15-29)25(36)30-16-24(35)33(13-7-11-22(33)27(38)39)28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17,29H2,1-2H3,(H2-,30,31,36,37,38,39)/p+1/t20-,21-,22-,33?/m0/s1