1-De(5-oxo-L-proline)-2-de-L-valine-3-D-phenylalanine-10-L-leucine-11-de-L-methioninamideranatensin methyl ester
[CAS# 130800-38-3]

Identification

• Name: 1-De(5-oxo-L-proline)-2-de-L-valine-3-D-phenylalanine-10-L-leucine-11-de-L-methioninamideranatensin methyl ester
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoate; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-1,5-Dioxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Valeric Acid Methyl Ester
• Molecular Formula: C₄₈H₆₆N₁₂O₁₀
• Molecular Weight: 971.12
• CAS Registry Number: 130800-38-3
• 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(OC)=O)CC(C)C)CC4N=CN=C4)C(C)C)C
• InChI: 1S/C48H66N12O10/c1-26(2)18-38(48(69)70-6)59-46(67)37(21-31-23-51-25-54-31)56-40(62)24-53-47(68)41(27(3)4)60-42(63)28(5)55-45(66)36(20-30-22-52-34-15-11-10-14-32(30)34)58-44(65)35(16-17-39(50)61)57-43(64)33(49)19-29-12-8-7-9-13-29/h7-15,22-23,25-28,31,33,35-38,41,52H,16-21,24,49H2,1-6H3,(H2,50,61)(H,53,68)(H,55,66)(H,56,62)(H,57,64)(H,58,65)(H,59,67)(H,60,63)/t28-,31?,33+,35-,36-,37-,38-,41-/m0/s1
• InChIKey: ORCBJPDHGBTVHS-YAFJBYGASA-N

Properties

• Density: 1.377g/cm³ (Cal.)