4-N-(3-Methoxypropyl)-N-pentylcarbamoyl-5-(2-naphthylsulfonyl)pentanoic acid
[CAS# 137005-17-5]

Identification

• Name: 4-N-(3-Methoxypropyl)-N-pentylcarbamoyl-5-(2-naphthylsulfonyl)pentanoic acid
• Synonyms: (2S)-2-Amino-5-Guanidino-Pentanoic Acid; (4R)-5-(3-Methoxypropyl-Pentyl-Amino)-4-(2-Naphthylsulfonylmethyl)-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-Guanidinopentanoic Acid; (4R)-5-(3-Methoxypropyl-Pentylamino)-4-(2-Naphthylsulfonylmethyl)-5-Oxopentanoic Acid; (2S)-2-Amino-5-Guanidino-Valeric Acid; (4R)-5-(Amyl-(3-Methoxypropyl)Amino)-5-Keto-4-(2-Naphthylsulfonylmethyl)Valeric Acid
• Molecular Formula: C₃₁H₄₉N₅O₈S
• Molecular Weight: 651.82
• CAS Registry Number: 137005-17-5
• SMILES: [C@@H](C[S](=O)(=O)C2=CC1=CC=CC=C1C=C2)(CCC(O)=O)C(=O)N(CCCCC)CCCOC.[C@H](N)(CCCN=C(N)N)C(O)=O
• InChI: 1S/C25H35NO6S.C6H14N4O2/c1-3-4-7-15-26(16-8-17-32-2)25(29)22(12-14-24(27)28)19-33(30,31)23-13-11-20-9-5-6-10-21(20)18-23;7-4(5(11)12)2-1-3-10-6(8)9/h5-6,9-11,13,18,22H,3-4,7-8,12,14-17,19H2,1-2H3,(H,27,28);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t22-;4-/m00/s1
• InChIKey: TXTJVOOURRNANH-QEXBQMGZSA-N

Properties

• Boiling point: 705.1°C at 760 mmHg (Cal.)
• Flash point: 380.2°C (Cal.)