MR 387B

AlkaPlorer ID: AK023377

Synonym: '', 'MR-387-B'

IUPAC Name: (2R)-1-[(2S)-1-[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Structure

SMILES: CC(C)[C@H](N=C(O)[C@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)O

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InChI: InChI=1S/C25H36N4O6/c1-15(2)20(27-22(31)21(30)17(26)14-16-8-4-3-5-9-16)24(33)28-12-6-10-18(28)23(32)29-13-7-11-19(29)25(34)35/h3-5,8-9,15,17-21,30H,6-7,10-14,26H2,1-2H3,(H,27,31)(H,34,35)/t17-,18+,19-,20+,21-/m1/s1

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InChIKey: ZLNGLBIUHZXFQA-VIYGXFRKSA-N

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Properties Information

Molecule Weight: 488.5850000000004

TPSA: 156.76

MolLogP: 0.9650000000000004

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information