(2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2S)-2,4-diamino-4-oxo-butanoyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2S)-2,4-diamino-4-oxobutanoyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2S)-2,4-diamino-4-keto-butanoyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N(C)C(=O)C2CCCN2C(=O)C(CC(=O)N)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C21H29N5O6/c1-12(27)24-16(10-13-5-7-14(28)8-6-13)20(31)25(2)21(32)17-4-3-9-26(17)19(30)15(22)11-18(23)29/h5-8,15-17,28H,3-4,9-11,22H2,1-2H3,(H2,23,29)(H,24,27)/t15-,16-,17-/m0/s1