6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-N-[(2S,3R)-1-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(Diaminomethylideneamino)Butylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylamino]-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-3-Hydroxy-4-Methyl-5-Oxopentan-2-Yl]Amino]-3-Hydroxy-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-5-Methylpyrimidine-4-Carboxamide
[CAS# 78314-57-5]

Identification

• Name: 6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-N-[(2S,3R)-1-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(Diaminomethylideneamino)Butylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylamino]-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-3-Hydroxy-4-Methyl-5-Oxopentan-2-Yl]Amino]-3-Hydroxy-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-5-Methylpyrimidine-4-Carboxamide
• Synonyms: 6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxo-Propyl]Amino]-3-Oxo-Propyl]-N-[(1S,2R)-1-[[(1R,2S,3S)-4-[[(1S,2R)-1-[2-[4-[4-(4-Guanidinobutylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-1,3-Dimethyl-4-Oxo-Butyl]Carbamoyl]-2-Hydroxy-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-Pyrimidine-4-Carboxamide; 6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-N-[(1S,2R)-1-[[[(1R,2S,3S)-4-[[(1S,2R)-1-[[2-[4-[4-[(4-Guanidinobutylamino)-Oxomethyl]-2-Thiazolyl]-2-Thiazolyl]Ethylamino]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Hydroxy-1,3-Dimethyl-4-Oxobutyl]Amino]-Oxomethyl]-2-Hydroxy-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-4-Pyrimidinecarboxamide; 6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Keto-Propyl]Amino]-3-Keto-Propyl]-N-[(1S,2R)-1-[[(1R,2S,3S)-4-[[(1S,2R)-1-[2-[4-[4-(4-Guanidinobutylcarbamoyl)Thiazol-2-Yl]Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-4-Keto-1,3-Dimethyl-Butyl]Carbamoyl]-2-Hydroxy-2-(3H-Imidazol-4-Yl)Ethyl]-5-Methyl-Pyrimidine-4-Carboxamide
• Molecular Formula: C₄₂H₆₃N₁₉O₁₀S₂
• Molecular Weight: 1058.20
• CAS Registry Number: 78314-57-5
• SMILES: [C@@H](O)([C@H](NC(=O)[C@@H](NC(=O)C1=C(C(=NC(=N1)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)N)C)[C@@H](O)C2=CN=C[NH]2)C)[C@@H](C(=O)N[C@@H]([C@H](O)C)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCCN=C(N)N)C
• InChI: 1S/C42H63N19O10S2/c1-17-28(58-35(61-33(17)45)22(11-26(44)63)53-12-21(43)34(46)66)39(70)60-30(32(65)23-13-49-16-54-23)40(71)55-19(3)31(64)18(2)36(67)59-29(20(4)62)38(69)51-10-7-27-56-25(15-72-27)41-57-24(14-73-41)37(68)50-8-5-6-9-52-42(47)48/h13-16,18-22,29-32,53,62,64-65H,5-12,43H2,1-4H3,(H2,44,63)(H2,46,66)(H,49,54)(H,50,68)(H,51,69)(H,55,71)(H,59,67)(H,60,70)(H2,45,58,61)(H4,47,48,52)/t18-,19+,20+,21-,22-,29-,30-,31-,32-/m0/s1
• InChIKey: VVWRHPJZHGLPMJ-OBHZIMKNSA-N

Properties

• Density: 1.676g/cm³ (Cal.)