For research use only. Not for therapeutic Use.
Catalog Number | M095641 |
CAS Number | 150956-92-6 |
Molecular Formula | C49H68N14O12S |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | (2S)-N-[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-[[2-(methylamino)benzoyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide |
InChI | InChI=1S/C49H68N14O12S/c1-29(44(66)58-35(43(50)65)16-9-10-20-53-45(67)33-14-7-8-15-34(33)51-2)56-47(69)37(23-31-25-52-28-55-31)59-48(70)38(27-76-3)57-42(64)26-54-46(68)36(22-30-12-5-4-6-13-30)60-49(71)40-17-11-21-61(40)39-19-18-32(62(72)73)24-41(39)63(74)75/h7-8,14-15,18-19,24-25,28-30,35-38,40,51H,4-6,9-13,16-17,20-23,26-27H2,1-3H3,(H2,50,65)(H,52,55)(H,53,67)(H,54,68)(H,56,69)(H,57,64)(H,58,66)(H,59,70)(H,60,71)/t29-,35-,36-,37-,38-,40-/m0/s1 |
InChIKey | FLNOECDMJTUEJM-HAHFRGJSSA-N |
SMILES | CC(C(=O)NC(CCCCNC(=O)C1=CC=CC=C1NC)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(CSC)NC(=O)CNC(=O)C(CC3CCCCC3)NC(=O)C4CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-] |