D0X1ZC

(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Also Known As: IRL-1841|IRL-2500|N-Methyl-N-(3,5-dimethylbenzoyl)-D-Phe-L-Trp-OH|L-Tryptophan, N-[N-(3,5-dimethylbenzoyl)-N-methyl-D-phenylalanyl]-|(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid|N-(3,5-Dimethylbenzoyl)-N-methyl-D-phenylalanyl-L-tryptophan|(2S)-2-[(2R)-2-[1-(3,5-dimethylphenyl)-N-methylformamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid|(S)-2-{(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]-3-phenyl-propionylamino}-3-(1H-indol-3-yl)-propionic acid|(S)-3-(1H-Indol-3-yl)-2-((R)-3-phenyl-2-(N,3,5-trimethylbenzamido)propanamido)propanoic acid

Molecular Formula	C30H31N3O4
Molecular Weight	497.23145 g/mol
LogP	4.28014
Topological Polar Surface Area	102.5 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	9
Exact Mass	497.23145
Monoisotopic Mass	497.23145
Heavy Atoms	37
Complexity	1407.0579

Chemical Identifiers

CAS Number	169544-71-2
SMILES	CC1=CC(=CC(=C1)C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C