2-{2-[(1-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoyl}pyrrolidin-2-yl)formamido]-4-methylpentanamido}-3-phenylpropanoic acid
AlkaPlorer ID: AK252411
Synonym: None
IUPAC Name: 2-[[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)CC(N=C(O)C1CCCN1C(=O)C(CC1=CNC2=CC=CC=C12)N=C(O)C(N)CC1=CC=C(O)C=C1)C(O)=NC(CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C40H48N6O7/c1-24(2)19-32(37(49)45-34(40(52)53)21-25-9-4-3-5-10-25)43-38(50)35-13-8-18-46(35)39(51)33(22-27-23-42-31-12-7-6-11-29(27)31)44-36(48)30(41)20-26-14-16-28(47)17-15-26/h3-7,9-12,14-17,23-24,30,32-35,42,47H,8,13,18-22,41H2,1-2H3,(H,43,50)(H,44,48)(H,45,49)(H,52,53)
InChIKey: XRKMGMOEFVPOLT-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 724.8590000000002
TPSA？: 217.42
MolLogP？: 5.325700000000003
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|