Neo-Kyotorphin
[CAS# 83759-54-0]

Identification

• Name: Neo-Kyotorphin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₈H₄₇N₉O₉
• Molecular Weight: 653.73
• CAS Registry Number: 83759-54-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CO)(CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C28H47N9O9/c1-15(39)22(30)26(44)37-21(14-38)25(43)34-18(5-2-3-11-29)23(41)36-20(13-16-7-9-17(40)10-8-16)24(42)35-19(27(45)46)6-4-12-33-28(31)32/h7-10,15,18-22,38-40H,2-6,11-14,29-30H2,1H3,(H,34,43)(H,35,42)(H,36,41)(H,37,44)(H,45,46)(H4,31,32,33)/t15-,18+,19+,20+,21+,22+/m1/s1
• InChIKey: COHPSYLINFUPSS-HHHIRMLJSA-N

Properties

• Density: 1.489g/cm³ (Cal.)