L-Cysteinyl-L-lysyl-L-arginylglycyl-L-prolylglycyl-L-seryl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-aspartyl-L-tyrosinamide cyclic (10-1)-peptide
[CAS# 130304-73-3]

Identification

• Name: L-Cysteinyl-L-lysyl-L-arginylglycyl-L-prolylglycyl-L-seryl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-aspartyl-L-tyrosinamide cyclic (10-1)-peptide
• Synonyms: (3S)-3-[[(2S)-2-[[2-[[(2S)-1-[2-[[(E,2S)-2-[[(2S)-6-Amino-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pent-3-Enoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-3-Hydroxy-3-Oxo-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[2-[[[(2S)-1-[2-[[(E,2S)-2-[[(2S)-6-Amino-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-5-Guanidino-1-Oxopent-3-Enyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-3-Hydroxy-3-Oxopropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[2-[[(2S)-1-[2-[[(E,2S)-2-[[(2S)-6-Amino-2-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pent-3-Enoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-3-Hydroxy-3-Keto-Propyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₃H₇₆N₁₆O₁₆S
• Molecular Weight: 1225.34
• CAS Registry Number: 130304-73-3
• SMILES: [C@@H]1(N(CCC1)C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CCCCN)\C=C\CN=C(N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)CC(O)=O
• InChI: 1S/C53H76N16O16S/c54-18-8-7-15-33(63-45(78)31(55)28-86)47(80)64-32(16-9-19-59-53(57)58)46(79)61-26-41(72)69-20-10-17-39(69)52(85)60-25-40(71)62-38(27-70)51(84)68-37(24-43(75)76)50(83)66-35(22-30-13-5-2-6-14-30)48(81)67-36(23-42(73)74)49(82)65-34(44(56)77)21-29-11-3-1-4-12-29/h1-6,9,11-14,16,31-39,70,86H,7-8,10,15,17-28,54-55H2,(H2,56,77)(H,60,85)(H,61,79)(H,62,71)(H,63,78)(H,64,80)(H,65,82)(H,66,83)(H,67,81)(H,68,84)(H,73,74)(H,75,76)(H4,57,58,59)/b16-9+/t31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: HYWFEJXPLXSMDO-ANOYAANVSA-N

Properties

• Density: 1.528g/cm³ (Cal.)