Chymostatin

2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid

Also Known As: Chymostatin|Chymostatin (0.5 mg vial)|Chymostatin (microbial product)|EINECS 257-382-9|ICY-4063-V|ICY-4063|2-(methoxymethyl)naphthalene-1,4-dione|2-(methoxymethyl)-1,4-naphthoquinone|2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid|n-{[1-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl}amino)-2-oxoethyl]carbamoyl}phenylalanine|L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((alpha-carboxyphenethyl)amino)carbonyl)glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomer|(2S)-2-[[(1S)-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid|[(S)-1-Carboxy-2-phenylethyl]carbamoyl-a-[2-iminohexahydro-4(S)-pyrimidyl]-(S)-glycyl-X-phenylalaninal|2-[(N-{(2-imino(1,3-diazaperhydroin-4-yl))[N-(3-methyl-1-{N-[2-oxo-1-benzyleth yl]carbamoyl}butyl)carbamoyl]methyl}carbamoyl)amino]-3-phenylpropanoic acid|2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[(1-benzyl-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoylamino]-3-phenyl-propanoic acid|257-382-9|L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(alpha-carboxyphenethyl)amino]carbonyl]glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomer

Molecular Formula	C31H41N7O6
Molecular Weight	607.3118 g/mol
LogP	0.48
Topological Polar Surface Area	204.11 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	607.3118
Heavy Atoms	44
Complexity	1305.1

Chemical Identifiers

CAS Number	9076-44-2
SMILES	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O