N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium

C147H173N12O34OsP — CID 159909013

IUPACN-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium
SMILESC=C[C@@H]1CC1C#CC#Cc1ccc(C(=O)N[C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(=O)NO.CN=O.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C=O)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.O=[Os](=O)(=O)=O
InChIInChI=1S/C27H34N2O7.C27H32N2O5.C26H32N2O6.C26H30N2O6.C21H25N3O5.C19H17P.CH3NO.4O.Os/c1-26(2,3)36-25(34)29-27(4,5)22(24(33)35-6)28-23(32)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)21(31)16-30;1-8-19-17-21(19)12-10-9-11-18-13-15-20(16-14-18)23(30)28-22(24(31)33-7)27(5,6)29-25(32)34-26(2,3)4;2*1-25(2,3)34-24(32)28-26(4,5)21(23(31)33-6)27-22(30)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)16-29;1-21(2,22)18(20(28)24-29)23-19(27)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)17(26)12-25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3;;;;;/h11-14,19-22,30-31H,15-16H2,1-6H3,(H,28,32)(H,29,34);8,13-16,19,21-22H,1,17H2,2-7H3,(H,28,30)(H,29,32);11-14,19-21,29H,15-16H2,1-6H3,(H,27,30)(H,28,32);11-14,16,19-21H,15H2,1-6H3,(H,27,30)(H,28,32);7-10,15-18,25-26,29H,11-12,22H2,1-2H3,(H,23,27)(H,24,28);2-16H,1H2;1H3;;;;;/t19?,20-,21?,22-;19-,21?,22-;2*19?,20-,21+;15?,16-,17?,18-;;;;;;;/m11001......./s1
InChIKeyLPEDECUFWGEIEE-ZXUACINISA-N
MW2873.25 g/mol
LogP12.43
Rot. Bonds34

About N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium

N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium (PubChem CID 159909013) has the molecular formula C147H173N12O34OsP and a molecular weight of 2873.25 g/mol. Its IUPAC name is N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium.

Molecular Properties

Compound NameN-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium
PubChem CID159909013
Molecular FormulaC147H173N12O34OsP
Molecular Weight2873.25 g/mol
Exact Mass2873.15
IUPAC NameN-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium
SMILESC=C[C@@H]1CC1C#CC#Cc1ccc(C(=O)N[C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(=O)NO.CN=O.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C=O)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.O=[Os](=O)(=O)=O
InChIInChI=1S/C27H34N2O7.C27H32N2O5.C26H32N2O6.C26H30N2O6.C21H25N3O5.C19H17P.CH3NO.4O.Os/c1-26(2,3)36-25(34)29-27(4,5)22(24(33)35-6)28-23(32)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)21(31)16-30;1-8-19-17-21(19)12-10-9-11-18-13-15-20(16-14-18)23(30)28-22(24(31)33-7)27(5,6)29-25(32)34-26(2,3)4;2*1-25(2,3)34-24(32)28-26(4,5)21(23(31)33-6)27-22(30)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)16-29;1-21(2,22)18(20(28)24-29)23-19(27)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)17(26)12-25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3;;;;;/h11-14,19-22,30-31H,15-16H2,1-6H3,(H,28,32)(H,29,34);8,13-16,19,21-22H,1,17H2,2-7H3,(H,28,30)(H,29,32);11-14,19-21,29H,15-16H2,1-6H3,(H,27,30)(H,28,32);11-14,16,19-21H,15H2,1-6H3,(H,27,30)(H,28,32);7-10,15-18,25-26,29H,11-12,22H2,1-2H3,(H,23,27)(H,24,28);2-16H,1H2;1H3;;;;;/t19?,20-,21?,22-;19-,21?,22-;2*19?,20-,21+;15?,16-,17?,18-;;;;;;;/m11001......./s1
InChIKeyLPEDECUFWGEIEE-ZXUACINISA-N
XLogP12.43
TPSA695.30 Ų
H-Bond Donors17
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002873.25
LogP ≤ 512.43
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium with MolForge

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Related Compounds

methyl (2S)-2-[[4-[4-[(1R,2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 118180350
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide
CID 71466518
methyl (2S)-2-[[4-[4-[2-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethynyl]phenyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 70983165
methyl (2S)-3-amino-2-[[6-[2-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethynyl]naphthalene-2-carbonyl]amino]-3-methylbutanoate;methyl (2S)-2-[[6-[2-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethynyl]naphthalene-2-carbonyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 158000121
N-[(2R)-1-(hydroxyamino)-3-methyl-3-methylsulfanyl-1-oxobutan-2-yl]-4-[4-[(2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide;4-[4-[(2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoic acid;methyl (2R)-2-amino-3-methyl-3-methylsulfanylbutanoate;methyl (2R)-2-[[4-[4-[(2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-methylsulfanylbutanoate
CID 159103097
methyl (2S)-3-amino-2-[[4-[4-[(2S)-3-hydroxy-2-(hydroxymethyl)cyclobutyl]buta-1,3-diynyl]benzoyl]amino]-3-methylbutanoate
CID 118177941
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(3R,4S)-3,4-dihydroxycyclopentyl]buta-1,3-diynyl]benzamide;methyl (2S)-3-amino-2-[[4-[4-[(3R,4S)-3,4-dihydroxycyclopentyl]buta-1,3-diynyl]benzoyl]amino]-3-methylbutanoate
CID 160762777
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(5R)-5-hydroxyhexa-1,3-diynyl]benzamide;hydroxylamine;methyl (2S)-3-amino-2-[[4-[(5R)-5-hydroxyhexa-1,3-diynyl]benzoyl]amino]-3-methylbutanoate
CID 161211945
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(E)-4-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]but-1-en-3-ynyl]benzamide
CID 71465935
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(1-formylazetidin-3-yl)buta-1,3-diynyl]benzamide
CID 86296740
methyl (2S)-3-amino-2-[[4-[2-[(1S,2R)-3-hydroxy-2-(hydroxymethyl)cyclobutyl]ethynyl]benzoyl]amino]-3-methylbutanoate
CID 118180273
(2S)-3-amino-2-[[4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-2,3-dimethylbutanoic acid
CID 118237050

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium?
The IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium (CID 159909013) is N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium.
What is the SMILES notation for N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium?
The canonical SMILES for N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium is C=C[C@@H]1CC1C#CC#Cc1ccc(C(=O)N[C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(=O)NO.CN=O.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C(O)CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2C=O)cc1)C(C)(C)NC(=O)OC(C)(C)C.COC(=O)[C@@H](NC(=O)c1ccc(C#CC#CC2C[C@H]2CO)cc1)C(C)(C)NC(=O)OC(C)(C)C.O=[Os](=O)(=O)=O.
What is the InChIKey of N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium?
The InChIKey is LPEDECUFWGEIEE-ZXUACINISA-N. The full InChI is InChI=1S/C27H34N2O7.C27H32N2O5.C26H32N2O6.C26H30N2O6.C21H25N3O5.C19H17P.CH3NO.4O.Os/c1-26(2,3)36-25(34)29-27(4,5)22(24(33)35-6)28-23(32)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)21(31)16-30;1-8-19-17-21(19)12-10-9-11-18-13-15-20(16-14-18)23(30)28-22(24(31)33-7)27(5,6)29-25(32)34-26(2,3)4;2*1-25(2,3)34-24(32)28-26(4,5)21(23(31)33-6)27-22(30)18-13-11-17(12-14-18)9-7-8-10-19-15-20(19)16-29;1-21(2,22)18(20(28)24-29)23-19(27)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)17(26)12-25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3;;;;;/h11-14,19-22,30-31H,15-16H2,1-6H3,(H,28,32)(H,29,34);8,13-16,19,21-22H,1,17H2,2-7H3,(H,28,30)(H,29,32);11-14,19-21,29H,15-16H2,1-6H3,(H,27,30)(H,28,32);11-14,16,19-21H,15H2,1-6H3,(H,27,30)(H,28,32);7-10,15-18,25-26,29H,11-12,22H2,1-2H3,(H,23,27)(H,24,28);2-16H,1H2;1H3;;;;;/t19?,20-,21?,22-;19-,21?,22-;2*19?,20-,21+;15?,16-,17?,18-;;;;;;;/m11001......./s1.
What are the key properties of N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium?
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium has a molecular weight of 2873.25 g/mol, XLogP of 12.43, 34 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzamide;methyl (2S)-2-[[4-[4-[(2R)-2-(1,2-dihydroxyethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2S)-2-ethenylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-formylcyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2S)-2-[[4-[4-[(2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzoyl]amino]-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methylidene(triphenyl)-λ5-phosphane;nitrosomethane;tetraoxoosmium is sourced from PubChem (CID 159909013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).