Ranatachykinin A
[CAS# 135690-47-0]

Identification

• Name: Ranatachykinin A
• Synonyms: (3S)-4-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2,6-Diaminohexanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-1-[[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-3-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2,6-Diamino-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-1-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2,6-Diaminohexanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₆₀H₉₂N₁₆O₁₅S
• Molecular Weight: 1309.55
• CAS Registry Number: 135690-47-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)CO
• InChI: 1S/C60H92N16O15S/c1-34(2)28-41(53(85)69-39(50(63)82)22-27-92-3)68-48(79)32-67-51(83)42(30-36-18-20-37(78)21-19-36)71-54(86)43(29-35-12-5-4-6-13-35)72-52(84)40(15-9-24-66-60(64)65)70-55(87)44(31-49(80)81)73-56(88)47-17-11-26-76(47)59(91)45(33-77)74-57(89)46-16-10-25-75(46)58(90)38(62)14-7-8-23-61/h4-6,12-13,18-21,34,38-47,77-78H,7-11,14-17,22-33,61-62H2,1-3H3,(H2,63,82)(H,67,83)(H,68,79)(H,69,85)(H,70,87)(H,71,86)(H,72,84)(H,73,88)(H,74,89)(H,80,81)(H4,64,65,66)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
• InChIKey: CBWGJMUZXSIZFG-CIRMSXBNSA-N

Properties

• Density: 1.459g/cm³ (Cal.)