(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]butanediamide
Molecular Formula:
C54H81N13O14
InChI: InChI=1/C54H81N13O14/c1-26(2)17-37(46(57)73)62-49(76)38(18-27(3)4)63-51(78)40(20-31-13-15-33(70)16-14-31)61-44(72)24-59-47(74)29(7)60-53(80)42(25-68)66-52(79)41(22-43(56)71)64-50(77)39(19-28(5)6)65-54(81)45(30(8)69)67-48(75)35(55)21-32-23-58-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,58,68-70H,17-22,24-25,55H2,1-8H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,80)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,81)(H,66,79)(H,67,75)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1/f/h59-67H,56-57H2
InChIKey: InChIKey=SUJPPMXJCZETOA-IQRWUDDXDR
SMILES: CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N
Names:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]butanediamide
Registries:
PubChem CID 6324638
PubChem ID 11600141
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|