1bkm

(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Also Known As: 1bkm|[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE|N-Acetyl-O-phosphono-L-Tyr-L-Glu-4-cyclohexyl-D-Abu-NH2|1C5|N-acetyl-O-phosphono-L-tyrosyl-N-[(1R)-1-carbamoyl-3-cyclohexylpropyl]-L-alpha-glutamine|(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid|(4S)-4-{[(1R)-1-carbamoyl-3-cyclohexylpropyl]carbamoyl}-4-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanoic acid|(S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-((R)-1-carbamoyl-3-cyclohexyl-propylcarbamoyl)-butyric acid|4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-(1-carbamoyl-3-cyclohexyl-propylcarbamoyl)-butyric acid|Cyclohexanebutanamide, N-acetyl-O-phosphono-L-tyrosyl-L-alpha-glutamyl-alpha-amino-, (alphaR)-|Cyclohexanebutanamide, N-acetyl-O-phosphono-L-tyrosyl-L-I+/--glutamyl-I+/--amino-, (I+/-R)-|N-Acetyl-O-phosphono-L-tyrosyl-N-[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-L-alpha-glutamine

Molecular Formula	C26H39N4O10P
Molecular Weight	598.24036 g/mol
LogP	0.4
Topological Polar Surface Area	234.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	16
Exact Mass	598.24036
Monoisotopic Mass	598.24036
Heavy Atoms	41
Complexity	960.0

Chemical Identifiers

CAS Number	184357-55-9
SMILES	CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N
InChIKey	MYZLOAXXVDGNMQ-FSSWDIPSSA-N