Cas no 100642-71-5 (Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI))

Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI) structure
100642-71-5 structure
Product Name:Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI)
CAS No:100642-71-5
MF:C52H75N11O12S2
MW:1110.34840989113
CID:6641885
Update Time:2024-01-29

Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI)
    • Inchi： 1S/C52H75N11O12S2/c1-28(2)19-38(49(69)62-46(66)37(53)17-18-76(12)72)59-48(68)40(23-35-24-54-27-56-35)58-42(64)25-55-50(70)43(29(3)4)61-45(65)33(8)57-47(67)39(60-51(71)75-52(9,10)11)22-34-26-63(41-16-14-13-15-36(34)41)77(73,74)44-31(6)20-30(5)21-32(44)7/h13-16,20-21,24,26-29,33,37-40,43H,17-19,22-23,25,53H2,1-12H3,(H,54,56)(H,55,70)(H,57,67)(H,58,64)(H,59,68)(H,60,71)(H,61,65)(H,62,66,69)/t33-,37?,38-,39-,40-,43-,76?/m0/s1
    • InChI Key： XEMKKQPDMFICJC-MQKFEIEYSA-N
    • SMILES： C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CNC=1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1C2=C(C=CC=C2)N(S(C2=C(C)C=C(C)C=C2C)(=O)=O)C=1)NC(OC(C)(C)C)=O)(=O)C(N)CCS(C)=O

Experimental Properties

  • Density: 1.36±0.1 g/cm3(Predicted)
  • pka: 11.06±0.46(Predicted)

Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI) Related Literature

100642-71-5 (Butanamide, N-[(1,1-dimethylethoxy)carbonyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-4-(methylsulfinyl)-L-2-amino- (9CI)) Related Products

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