Crabrolin
[CAS# 93207-22-8]

Identification

• Name: Crabrolin
• Synonyms: (2S)-N-[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-5-Amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Butyl]Carbamo
• Molecular Formula: C₇₄H₁₃₀N₁₈O₁₄
• Molecular Weight: 1495.95
• CAS Registry Number: 93207-22-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@H](C(=O)N[C
• InChI: 1S/C74H130N18O14/c1-17-44(13)58(90-67(100)54(36-41(7)8)85-68(101)56-30-25-33-92(56)73(106)55(37-42(9)10)87-63(96)49(76)38-48-26-20-19-21-27-48)70(103)86-53(35-40(5)6)66(99)83-51(29-24-32-80-74(78)79)64(97)82-50(28-22-23-31-75)65(98)89-59(45(14)18-2)71(104
• InChIKey: QSXDPLQPNHGARA-KZQGOEDHSA-N

Properties

• Density: 1.291g/cm³ (Cal.)