Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester

dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]benzene-1,3-dicarboxylate

Also Known As: Dppaap|PPAAP|Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester|Phe-pro-arg-5-amidoisophthalic acid dimethyl ester|Dimethyl phenylalanine-proline-arginine-5-amidoisophthalate|Phenylalanyl-prolyl-arginine-5-amidoisophthalic acid dimethyl|dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]benzene-1,3-dicarboxylate|H-D-Phe-Pro-Arg-5-amido-isophthalic acid-dimethyl ester|H-D-PHE-PRO-ARG-5-AMIDO-ISOPHTHALIC ACID-DIMETHYL ESTER ACETATE SALT|L-Argininamide, D-phenylalanyl-L-prolyl-N-(3,5-bis(methoxycarbonyl)phenyl)-|D-Phenylalanyl-prolyl-arginine-5-aminoisophthalic acid dimethyl ester|H-D-PHE-PRO-ARG 5-AMIDOISOPHTHALIC ACID DIMETHYL ESTER ACETATE|D-Phenylalanyl-N-[(2S)-2-[3,5-bis(methoxycarbonyl)anilino]-5-(carbamimidoylamino)-1-hydroxypentylidene]-L-prolinamide|Phenylalanyl-N-{2-[3,5-bis(methoxycarbonyl)anilino]-5-carbamimidamido-1-hydroxypentylidene}prolinamide

Molecular Formula	C30H39N7O7
Molecular Weight	609.2911 g/mol
LogP	1.1
Topological Polar Surface Area	222.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	15
Exact Mass	609.2911
Monoisotopic Mass	609.2911
Heavy Atoms	44
Complexity	1020.0

Chemical Identifiers

CAS Number	74503-72-3
SMILES	COC(=O)C1=CC(=CC(=C1)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)N)C(=O)OC
InChIKey	GYYNJNKGUIYHTB-SGNDLWITSA-N