Drosulfakinin 0
[CAS# 117457-89-3]

Identification

• Name: Drosulfakinin 0
• Synonyms: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]-1,5-Dioxopentyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetic Acid
• Molecular Formula: C₃₈H₆₁N₁₁O₁₃S
• Molecular Weight: 912.03
• CAS Registry Number: 117457-89-3
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)N)=O)CCC(=O)N)=O)CCCCN)=O)[C@@H](C)O)=O)CCSC)=O)CO)=O)CC1=CC=CC=C1
• InChI: 1S/C38H61N11O13S/c1-20(51)31(49-36(60)23(10-6-7-14-39)45-34(58)24(11-12-28(41)52)44-32(56)22(40)17-29(42)53)38(62)46-25(13-15-63-2)35(59)48-27(19-50)37(61)47-26(33(57)43-18-30(54)55)16-21-8-4-3-5-9-21/h3-5,8-9,20,22-27,31,50-51H,6-7,10-19,39-40H2,1-2H3,(H2,41,52)(H2,42,53)(H,43,57)(H,44,56)(H,45,58)(H,46,62)(H,47,61)(H,48,59)(H,49,60)(H,54,55)/t20-,22+,23+,24+,25+,26+,27+,31+/m1/s1
• InChIKey: NWBKPMGHQDKSDL-CRYGRWINSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 1509.7°C at 760 mmHg (Cal.)
• Flash point: 866.835°C (Cal.)