2-[(1-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoyl}pyrrolidin-2-yl)formamido]-4-methylpentanoic acid

AlkaPlorer ID: AK511457

Synonym: None

IUPAC Name: 2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Structure

SMILES: CC(C)CC(N=C(O)C1CCCN1C(=O)C(N=C(O)C(N)CC1=CC=C(O)C=C1)C(C)C)C(=O)O

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InChI: InChI=1S/C25H38N4O6/c1-14(2)12-19(25(34)35)27-23(32)20-6-5-11-29(20)24(33)21(15(3)4)28-22(31)18(26)13-16-7-9-17(30)10-8-16/h7-10,14-15,18-21,30H,5-6,11-13,26H2,1-4H3,(H,27,32)(H,28,31)(H,34,35)

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InChIKey: RITYBYCZDREYDS-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 490.60100000000017

TPSA: 169.04

MolLogP: 2.689900000000001

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information