2-({1-[2-(2-amino-4-methylpentanamido)-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid
AlkaPlorer ID: AK233072
Synonym: None
IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)CC(N)C(O)=NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C(O)=NC(CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C31H39N5O5/c1-19(2)15-23(32)28(37)34-25(17-21-18-33-24-12-7-6-11-22(21)24)30(39)36-14-8-13-27(36)29(38)35-26(31(40)41)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,33H,8,13-17,32H2,1-2H3,(H,34,37)(H,35,38)(H,40,41)
InChIKey: FZMVRHBXJMOBJO-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 561.6830000000004
TPSA？: 164.6
MolLogP？: 4.052300000000002
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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