C132H255N37O60S2 — CID 173344267
2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) (PubChem CID 173344267) has the molecular formula C132H255N37O60S2 and a molecular weight of 3384.82 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid).
| Compound Name | 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) |
|---|---|
| PubChem CID | 173344267 |
| Molecular Formula | C132H255N37O60S2 |
| Molecular Weight | 3384.82 g/mol |
| Exact Mass | 3382.75 |
| IUPAC Name | 2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) |
| SMILES | CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H](N)Cc1ccccc1)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C13H18N2O4.C12H21N7O3.C9H18N2O4.C9H11NO2.C6H14N4O2.C6H14N2O2.5C6H13NO2.2C5H10N2O3.4C5H9NO4.C5H11NO2.C4H8N2O3.2C3H7NO2S.C2H5NO2/c1-8(11(15)12(16)17)19-13(18)10(14)7-9-5-3-2-4-6-9;13-8(2-1-3-18-12(15)16)10(20)22-11(21)9(14)4-7-5-17-6-19-7;1-4(2)6(10)9(14)15-5(3)7(11)8(12)13;10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3-5(8)6(9)10;3*1-4(2)3-5(7)6(8)9;2*1-3-4(2)5(7)6(8)9;6*6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;2*4-2(1-7)3(5)6;3-1-2(4)5/h2-6,8,10-11H,7,14-15H2,1H3,(H,16,17);5-6,8-9H,1-4,13-14H2,(H,17,19)(H4,15,16,18);4-7H,10-11H2,1-3H3,(H,12,13);1-5,8H,6,10H2,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10);5H,1-4,7-8H2,(H,9,10);5*4-5H,3,7H2,1-2H3,(H,8,9);2*3H,1-2,6H2,(H2,7,8)(H,9,10);4*3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2*2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t8-,10+,11+;8-,9-;5-,6+,7+;8-;4-;4*5-;2*4-,5-;6*3-;4-;3*2-;/m101000000000000000000./s1 |
| InChIKey | KAHYZEYAYXTCLF-JCHXKASUSA-N |
| XLogP | -11.82 |
| TPSA | 1991.74 Ų |
| H-Bond Donors | 61 |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 231 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3384.82 |
| LogP ≤ 5 | -11.82 |
| H-Bond Donors ≤ 5 | 61 |
| H-Bond Acceptors ≤ 10 | 66 |