MR 387A

AlkaPlorer ID: AK039516

Synonym: '', 'MR-387-A'

IUPAC Name: (2R,4S)-1-[(2S)-1-[(2S)-2-[[(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-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)N1C[C@@H](O)C[C@@H]1C(=O)O

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InChI: InChI=1S/C25H36N4O7/c1-14(2)20(27-22(32)21(31)17(26)11-15-7-4-3-5-8-15)24(34)28-10-6-9-18(28)23(33)29-13-16(30)12-19(29)25(35)36/h3-5,7-8,14,16-21,30-31H,6,9-13,26H2,1-2H3,(H,27,32)(H,35,36)/t16-,17-,18-,19+,20-,21-/m0/s1

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InChIKey: SWITUXFHGUGTCX-OLGWUGKESA-N

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Properties Information

Molecule Weight: 504.5840000000004

TPSA: 176.98999999999998

MolLogP: -0.0641999999999983

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information