beta-Casomorphin 5

2-[[(2S)-1-[(2S)-2-[[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Also Known As: Deprolorphin|4-Pro-casomorphin|beta-casomorphin 5|Tyr-pro-phe-pro-gly|D-Pro(4)-casomorphin|L-Pro(4)-casomorphin|Casomorphin, pro(4)-|Beta-Casomorphin-5|(D-Tyr(1))CM-5|Tyrosyl-prolyl-phenylalanyl-prolylglycine|beta-Casomorphin (1-5) (bovine)|l-tyrosylprolyl-l-phenylalanyl-l-prolylglycine|l-tyrosyl-l-prolyl-l-phenylalanyl-l-prolylglycine|Glycine, N-(1-(N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl)-L-prolyl)-|2-[[(2S)-1-[(2S)-2-[[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid|{[(2S)-1-[(2S)-2-({1-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]PYRROLIDIN-2-YL}FORMAMIDO)-3-PHENYLPROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}ACETIC ACID|N-[Hydroxy(1-{N-[hydroxy(1-tyrosylpyrrolidin-2-yl)methylidene]phenylalanyl}pyrrolidin-2-yl)methylidene]glycine|N-{Hydroxy[(2S)-1-{N-[hydroxy(1-L-tyrosylpyrrolidin-2-yl)methylidene]-L-phenylalanyl}pyrrolidin-2-yl]methylidene}glycine

Molecular Formula	C30H37N5O7
Molecular Weight	579.2693 g/mol
LogP	0.17
Topological Polar Surface Area	182.37 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	579.2693
Heavy Atoms	42
Complexity	1286.7

Chemical Identifiers

CAS Number	72122-63-5
SMILES	C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)NCC(=O)O