(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]-N-[(1S)-1-[[4-(hydroxymethyl)phenyl]methyl]-2-[[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-acetamido-4-methyl-1-oxopentyl]-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]-N-[(2S)-3-[4-(hydroxymethyl)phenyl]-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]-N-[(1S)-2-keto-2-[[(1S)-2-keto-1-methyl-2-(methylamino)ethyl]amino]-1-(4-methylolbenzyl)ethyl]pyrrolidine-2-carboxamide Formula: C27H41N5O6 MolecularWeight: 531.64434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)CO)C(=O)NC(C)C(=O)NC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H41N5O6/c1-16(2)13-22(30-18(4)34)27(38)32-12-6-7-23(32)26(37)31-21(25(36)29-17(3)24(35)28-5)14-19-8-10-20(15-33)11-9-19/h8-11,16-17,21-23,33H,6-7,12-15H2,1-5H3,(H,28,35)(H,29,36)(H,30,34)(H,31,37)/t17-,21-,22-,23-/m0/s1