1-De(5-oxo-L-proline)-2-de-L-valine-3-D-phenylalanine-10-L-leucine-11-L-leucinamide-Ranatensin
[CAS# 137734-88-4]

Identification

• Name: 1-De(5-oxo-L-proline)-2-de-L-valine-3-D-phenylalanine-10-L-leucine-11-L-leucinamide-Ranatensin
• Synonyms: (2S)-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Carbamoyl]-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-1-Oxo-3-Phenylpropyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methylbutyl]Amino]-Oxomethyl]-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-Phenyl-Propanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Carbamoyl]-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: C₅₃H₇₆N₁₄O₁₀
• Molecular Weight: 1069.27
• CAS Registry Number: 137734-88-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CC1=CC=CC=C1)CCC(=O)N)(CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)CC4N=CN=C4)C(C)C)C
• InChI: 1S/C53H76N14O10/c1-28(2)19-39(46(56)70)64-51(75)40(20-29(3)4)65-52(76)42(23-34-25-57-27-60-34)62-44(69)26-59-53(77)45(30(5)6)67-47(71)31(7)61-50(74)41(22-33-24-58-37-16-12-11-15-35(33)37)66-49(73)38(17-18-43(55)68)63-48(72)36(54)21-32-13-9-8-10-14-32/h8-16,24-25,27-31,34,36,38-42,45,58H,17-23,26,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,59,77)(H,61,74)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,73)(H,67,71)/t31-,34?,36+,38-,39-,40-,41-,42-,45-/m0/s1
• InChIKey: ZJPVMZDISQCAJV-MNNQHMEFSA-N

Properties

• Density: 1.377g/cm³ (Cal.)