1-[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide; 1-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide; 1-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide; 1-[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidin-1-iumcarboxamide; 1-[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]-1-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-1-ium-2-carboxamide; 1-[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-(glycylamino)-4-methyl-pentanoyl]-1-[(E)-3-phenylacryloyl]pyrrolidin-1-ium-2-carboxamide; 1-[2-(glycylamino)-3-phenyl-propanoyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]pyrrolidin-1-ium-2-carboxamide Formula: C50H66N8O11+2 MolecularWeight: 955.10604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[N+]1(CCCC1C(=O)N)C(=O)C=CC2=CC=CC=C2)NC(=O)CN.COC1=CC(=CC(=C1OC)OC)C=CC(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CC=CC=C3)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)[N+]1(CCCC1C(=O)N)C(=O)/C=C/C2=CC=CC=C2)NC(=O)CN.COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CC=CC=C3)NC(=O)CN

InChI

InChI=1S/C28H34N4O7.C22H30N4O4/c1-37-22-15-19(16-23(38-2)26(22)39-3)11-12-25(34)32(13-7-10-21(32)27(30)35)28(36)20(31-24(33)17-29)14-18-8-5-4-6-9-18;1-15(2)13-17(25-19(27)14-23)22(30)26(12-6-9-18(26)21(24)29)20(28)11-10-16-7-4-3-5-8-16/h4-6,8-9,11-12,15-16,20-21H,7,10,13-14,17,29H2,1-3H3,(H2-,30,31,33,35);3-5,7-8,10-11,15,17-18H,6,9,12-14,23H2,1-2H3,(H2-,24,25,27,29)/p+2/b12-11+;11-10+