XV 459

(2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid

Also Known As: Roxifiban|hydrolyzed DMP 755|XV 459|XV459|XV-459|(2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid|L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-|(2S)-2-[(BUTOXYCARBONYL)AMINO]-3-{2-[(5R)-3-(4-CARBAMIMIDOYLPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL]ACETAMIDO}PROPANOIC ACID|N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine|(2S)-2-(Butoxycarbonylamino)-3-[[(5R)-3-(4-amidinophenyl)-2-isoxazoline-5-yl]acetylamino]propionic acid|(2S)-3-[[[[(5R)-4,5-Dihydro-3-(4-amidinophenyl)isoxazole]-5-yl]acetyl]amino]-2-[(butoxycarbonyl)amino]propanoic acid|(S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-propionic acid; TFA|3-[[2-[(5R)-3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)-L-alanine|L-Alanine, 3-[[2-[(5R)-3-[4-(aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)-

Molecular Formula	C20H27N5O6
Molecular Weight	433.19614 g/mol
LogP	0.7
Topological Polar Surface Area	176.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	433.19614
Monoisotopic Mass	433.19614
Heavy Atoms	31
Complexity	690.0

Chemical Identifiers

CAS Number	170902-52-0
SMILES	CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)O
InChIKey	SRRJCHGGTPFZSS-ZBFHGGJFSA-N