Cas no 100642-86-2 (Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI))

Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI) structure
100642-86-2 structure
Product Name:Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI)
CAS No:100642-86-2
MF:C70H91N15O18S2
MW:1494.69125390053
CID:6627713
Update Time:2024-01-08

Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI)
    • Inchi： 1S/C70H91N15O18S2/c1-38(2)25-51(80-67(95)55(31-57(72)87)79-59(89)34-75-70(98)103-36-45-19-21-48(102-8)22-20-45)65(93)82-53(29-46-35-85(56-18-14-13-17-49(46)56)105(100,101)61-40(4)26-39(3)27-41(61)5)64(92)77-42(6)62(90)83-60(43(7)86)69(97)74-33-58(88)78-54(30-47-32-73-37-76-47)66(94)81-52(28-44-15-11-10-12-16-44)68(96)84-63(91)50(71)23-24-104(9)99/h10-22,26-27,32,35,37-38,42-43,50-55,60,86H,23-25,28-31,33-34,36,71H2,1-9H3,(H2,72,87)(H,73,76)(H,74,97)(H,75,98)(H,77,92)(H,78,88)(H,79,89)(H,80,95)(H,81,94)(H,82,93)(H,83,90)(H,84,91,96)/t42-,43+,50?,51-,52-,53-,54-,55-,60-,104?/m0/s1
    • InChI Key： JFQKAFGFVMKZOO-TUSAMDNFSA-N
    • SMILES： C(NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1N=CNC=1)NC(=O)CNC(=O)[C@H]([C@H](O)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(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(OCC1=CC=C(OC)C=C1)=O)(=O)C(N)CCS(C)=O

Experimental Properties

  • Density: 1.43±0.1 g/cm3(Predicted)
  • pka: 10.86±0.46(Predicted)

Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI) Related Literature

100642-86-2 (Butanamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]glycyl-L-asparaginyl-L-leucyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-L-tryptophyl-L-alanyl-L-threonylglycyl-L-histidyl-L-phenylalanyl-4-(methylsulfinyl)-L-2-amino- (9CI)) Related Products

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