(S)-1-de(5-oxo-L-proline)-2-de-L-valine-3-D-tryptophan-10-(N2-(2-amino-4-methylpentyl)-L-leucinamide)-11-de-L-methioninamide-Ranatensin
[CAS# 140163-54-8]

Identification

• Name: (S)-1-de(5-oxo-L-proline)-2-de-L-valine-3-D-tryptophan-10-(N2-(2-amino-4-methylpentyl)-L-leucinamide)-11-de-L-methioninamide-Ranatensin
• Synonyms: (2S)-2-[[(2R)-2-Amino-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-1-(4H-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]Pentanediamide; (2S)-2-[[(2R)-2-Amino-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methylbutyl]Amino]Methyl]-3-Methylbutyl]Amino]-1-(4H-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]Pentanediamide; (2S)-2-[[(2R)-2-Amino-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-1-(4H-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]Glutaramide
• Molecular Formula: C₅₅H₇₉N₁₅O₉
• Molecular Weight: 1094.32
• CAS Registry Number: 140163-54-8
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC1=C[NH]C2=CC=CC=C12)CCC(=O)N)(CC3=C[NH]C4=CC=CC=C34)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CN[C@H](C(=O)N)CC(C)C)CC(C)C)CC5N=CN=C5)C(C)C)C
• InChI: 1S/C55H79N15O9/c1-29(2)18-36(26-62-43(49(58)73)19-30(3)4)66-54(78)45(22-35-25-59-28-64-35)67-47(72)27-63-55(79)48(31(5)6)70-50(74)32(7)65-53(77)44(21-34-24-61-41-15-11-9-13-38(34)41)69-52(76)42(16-17-46(57)71)68-51(75)39(56)20-33-23-60-40-14-10-8-12-37(33)40/h8-15,23-25,28-32,35-36,39,42-45,48,60-62H,16-22,26-27,56H2,1-7H3,(H2,57,71)(H2,58,73)(H,63,79)(H,65,77)(H,66,78)(H,67,72)(H,68,75)(H,69,76)(H,70,74)/t32-,35?,36-,39+,42-,43-,44-,45-,48-/m0/s1
• InChIKey: VQUROLXOGWIFPF-RLSSODDRSA-N

Properties

• Density: 1.39g/cm³ (Cal.)