MAGE-3 Peptide

2-[[2-[2-[[2-[[1-[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Also Known As: MAGE-3 Peptide|Amino acid sequence: FLWGPRALV|H-Phe-Leu-Trp-Gly-Pro-Arg-Ala-Leu-Val-OH|phenylalanylleucyltryptophylglycylprolylarginylalanylleucylvaline|(6S,9S,12S,15S)-1-Amino-6-((S)-1-(2-((S)-2-((S)-2-((S)-2-amino-3-phenylPropanamido)-4-methylpentanamido)-3-(1H-indol-3-yl)Propanamido)acetyl)pyrrolidine-2-carboxamido)-1-imino-12-isobutyl-15-isoPropyl-9-methyl-7,10,13-trioxo-2,8,11,14-tetraazahexadecan-16-oic acid|2-[[2-[2-[[2-[[1-[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Molecular Formula	C53H79N13O10
Molecular Weight	1057.6073 g/mol
LogP	0.2
Topological Polar Surface Area	368.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	12
Rotatable Bonds	29
Exact Mass	1057.6073
Monoisotopic Mass	1057.6073
Heavy Atoms	76
Complexity	2010.0

Chemical Identifiers

CAS Number	884-18-4
SMILES	CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N
InChIKey	PQGCYSRGXCORLN-UHFFFAOYSA-N