About (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane
(3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane (PubChem CID 157102086) has the molecular formula C168H261ClFN17O34
and a molecular weight of 3118.48 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane.
Frequently Asked Questions
What is the IUPAC name of (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane?
The IUPAC name of (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane (CID 157102086) is (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane.
What is the SMILES notation for (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane?
The canonical SMILES for (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane is CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)C(N)=O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](C)C(O)C(N)=O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)C[C@@H](CCCCCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)cc2)cc1.C[C@H](N)C(O)C(N)=O.[2H]CF.[H]/N=N/N=NCl.
What is the InChIKey of (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane?
The InChIKey is AFWOJARRRZOWJS-QHSMNQRXSA-N. The full InChI is InChI=1S/C56H86N4O11.C56H84N4O11.C51H77N3O10.C4H10N2O2.CH3F.ClHN4/c2*1-12-13-19-39-23-25-40(26-24-39)41-27-29-42(30-28-41)46(61)35-43(20-15-14-16-22-49(64)70-55(6,7)8)53(68)59-44(21-17-18-31-58-54(69)71-56(9,10)11)47(62)34-38(5)52(67)60-45(32-36(2)3)48(63)33-37(4)50(65)51(57)66;1-11-12-18-36-22-24-37(25-23-36)38-26-28-39(29-27-38)43(55)33-40(19-14-13-15-21-45(57)63-50(5,6)7)47(59)53-41(20-16-17-30-52-49(62)64-51(8,9)10)44(56)32-35(4)46(58)54-42(48(60)61)31-34(2)3;1-2(5)3(7)4(6)8;1-2;1-3-5-4-2/h23-30,36-38,43-45,50,65H,12-22,31-35H2,1-11H3,(H2,57,66)(H,58,69)(H,59,68)(H,60,67);23-30,36-38,43-45H,12-22,31-35H2,1-11H3,(H2,57,66)(H,58,69)(H,59,68)(H,60,67);22-29,34-35,40-42H,11-21,30-33H2,1-10H3,(H,52,62)(H,53,59)(H,54,58)(H,60,61);2-3,7H,5H2,1H3,(H2,6,8);1H3;2H/b;;;;;4-2+,5-3?/t37-,38-,43-,44+,45+,50?;37-,38-,43-,44+,45+;35-,40-,41+,42+;2-,3?;;/m1110../s1/i;;;;1D;.
What are the key properties of (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane?
(3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane has a molecular weight of 3118.48 g/mol, XLogP of 27.93, 95 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxybutanamide;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-2,7-dimethyl-5,8,9-trioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;tert-butyl (7R)-7-[[(2R,5S)-1-[[(4S,7R)-9-amino-8-hydroxy-2,7-dimethyl-5,9-dioxononan-4-yl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxononan-5-yl]carbamoyl]-9-[4-(4-butylphenyl)phenyl]-9-oxononanoate;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]-2-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]-4-methylpentanoic acid;chloro(diazenyl)diazene;deuterio(fluoro)methane is sourced from PubChem (CID 157102086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).