Litorin
[CAS# 55749-97-8]

Identification

• Name: Litorin
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]-2-(Pyroglutamoylamino)Glutaramide
• Molecular Formula: C₅₁H₆₈N₁₄O₁₁S
• Molecular Weight: 1085.25
• CAS Registry Number: 55749-97-8
• SMILES: [C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)CCSC)=O)CC1=CC=CC=C1)=O)CC2=CN=C[NH]2)=O)=O)C(C)C)=O)C)=O)(NC([C@@H](NC([C@H]3NC(=O)CC3)=O)CCC(=O)N)=O)CC4=C[NH]C5=C4C=CC=C5
• InChI: 1S/C51H68N14O11S/c1-27(2)43(51(76)56-25-42(68)60-39(22-31-24-54-26-57-31)50(75)63-37(20-29-10-6-5-7-11-29)49(74)61-34(44(53)69)18-19-77-4)65-45(70)28(3)58-48(73)38(21-30-23-55-33-13-9-8-12-32(30)33)64-47(72)36(14-16-40(52)66)62-46(71)35-15-17-41(67)59-35/h5-13,23-24,26-28,34-39,43,55H,14-22,25H2,1-4H3,(H2,52,66)(H2,53,69)(H,54,57)(H,56,76)(H,58,73)(H,59,67)(H,60,68)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,70)/t28-,34-,35-,36-,37-,38-,39-,43-/m0/s1
• InChIKey: OHCNRADJYUSTIV-FPNHNIPFSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 1693.327°C at 760 mmHg (Cal.)
• Flash point: 977.889°C (Cal.)
• solubility: Soluble to 1 mg/ml in 0.25% acetic acid