(2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine

C176H253N11O30 — CID 159613432

About (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine

(2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine (PubChem CID 159613432) has the molecular formula C176H253N11O30 and a molecular weight of 3003.01 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine.

Molecular Properties

• Compound Name: (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine
• PubChem CID: 159613432
• Molecular Formula: C176H253N11O30
• Molecular Weight: 3003.01 g/mol
• Exact Mass: 3000.86
• IUPAC Name: (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine
• SMILES: C=CCOC[C@@H](N)C(C)C.C=CCOC[C@@H](NC(=O)[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(OCC=C)cc1)C(C)C.CC(C)[C@@H](CO)/N=C/c1ccccc1.CC(C)[C@@H]1COCCCCOc2ccc(cc2)C[C@@H](CC(=O)C[C@@H](CCCCN)C(=O)O)C(=O)N1.CC(C)[C@@H]1COCCCCOc2ccc(cc2)C[C@@H](CC(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N1.CC(C)[C@H](N)CO.CC(C)[C@H]1COCC=CCOc2ccc(cc2)C[C@@H](CC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1.CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](N)C(=O)N1
• InChI: InChI=1S/C36H58N2O8.C36H41NO5.C34H37NO5.C27H42N2O6.C18H28N2O3.C12H17NO.C8H17NO.C5H13NO/c1-25(2)31-24-43-19-11-12-20-44-30-16-14-26(15-17-30)21-28(32(40)38-31)23-29(39)22-27(33(41)45-35(3,4)5)13-9-10-18-37-34(42)46-36(6,7)8;1-5-19-40-24-34(25(3)4)37-36(39)27(21-26-15-17-28(18-16-26)41-20-6-2)22-35(38)42-23-33-31-13-9-7-11-29(31)30-12-8-10-14-32(30)33;1-23(2)32-22-38-17-7-8-18-39-26-15-13-24(14-16-26)19-25(34(37)35-32)20-33(36)40-21-31-29-11-5-3-9-27(29)28-10-4-6-12-30(28)31;1-19(2)25-18-34-13-5-6-14-35-24-10-8-20(9-11-24)15-22(26(31)29-25)17-23(30)16-21(27(32)33)7-3-4-12-28;1-13(2)17-12-22-9-3-4-10-23-15-7-5-14(6-8-15)11-16(19)18(21)20-17;1-10(2)12(9-14)13-8-11-6-4-3-5-7-11;1-4-5-10-6-8(9)7(2)3;1-4(2)5(6)3-7/h14-17,25,27-28,31H,9-13,18-24H2,1-8H3,(H,37,42)(H,38,40);5-18,25,27,33-34H,1-2,19-24H2,3-4H3,(H,37,39);3-16,23,25,31-32H,17-22H2,1-2H3,(H,35,37);8-11,19,21-22,25H,3-7,12-18,28H2,1-2H3,(H,29,31)(H,32,33);5-8,13,16-17H,3-4,9-12,19H2,1-2H3,(H,20,21);3-8,10,12,14H,9H2,1-2H3;4,7-8H,1,5-6,9H2,2-3H3;4-5,7H,3,6H2,1-2H3/b;;;;;13-8+;;/t27-,28+,31+;27-,34+;25-,32+;21-,22+,25+;16-,17-;12-;8-;5-/m10011111/s1
• InChIKey: MMZLRQPVXVPSQS-CVTAJUIHSA-N
• XLogP: 26.87
• TPSA: 592.60 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 54
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3003.01
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine?

The IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine (CID 159613432) is (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine.

What is the SMILES notation for (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine?

The canonical SMILES for (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine is C=CCOC[C@@H](N)C(C)C.C=CCOC[C@@H](NC(=O)[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(OCC=C)cc1)C(C)C.CC(C)[C@@H](CO)/N=C/c1ccccc1.CC(C)[C@@H]1COCCCCOc2ccc(cc2)C[C@@H](CC(=O)C[C@@H](CCCCN)C(=O)O)C(=O)N1.CC(C)[C@@H]1COCCCCOc2ccc(cc2)C[C@@H](CC(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N1.CC(C)[C@H](N)CO.CC(C)[C@H]1COCC=CCOc2ccc(cc2)C[C@@H](CC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1.CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](N)C(=O)N1.

What is the InChIKey of (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine?

The InChIKey is MMZLRQPVXVPSQS-CVTAJUIHSA-N. The full InChI is InChI=1S/C36H58N2O8.C36H41NO5.C34H37NO5.C27H42N2O6.C18H28N2O3.C12H17NO.C8H17NO.C5H13NO/c1-25(2)31-24-43-19-11-12-20-44-30-16-14-26(15-17-30)21-28(32(40)38-31)23-29(39)22-27(33(41)45-35(3,4)5)13-9-10-18-37-34(42)46-36(6,7)8;1-5-19-40-24-34(25(3)4)37-36(39)27(21-26-15-17-28(18-16-26)41-20-6-2)22-35(38)42-23-33-31-13-9-7-11-29(31)30-12-8-10-14-32(30)33;1-23(2)32-22-38-17-7-8-18-39-26-15-13-24(14-16-26)19-25(34(37)35-32)20-33(36)40-21-31-29-11-5-3-9-27(29)28-10-4-6-12-30(28)31;1-19(2)25-18-34-13-5-6-14-35-24-10-8-20(9-11-24)15-22(26(31)29-25)17-23(30)16-21(27(32)33)7-3-4-12-28;1-13(2)17-12-22-9-3-4-10-23-15-7-5-14(6-8-15)11-16(19)18(21)20-17;1-10(2)12(9-14)13-8-11-6-4-3-5-7-11;1-4-5-10-6-8(9)7(2)3;1-4(2)5(6)3-7/h14-17,25,27-28,31H,9-13,18-24H2,1-8H3,(H,37,42)(H,38,40);5-18,25,27,33-34H,1-2,19-24H2,3-4H3,(H,37,39);3-16,23,25,31-32H,17-22H2,1-2H3,(H,35,37);8-11,19,21-22,25H,3-7,12-18,28H2,1-2H3,(H,29,31)(H,32,33);5-8,13,16-17H,3-4,9-12,19H2,1-2H3,(H,20,21);3-8,10,12,14H,9H2,1-2H3;4,7-8H,1,5-6,9H2,2-3H3;4-5,7H,3,6H2,1-2H3/b;;;;;13-8+;;/t27-,28+,31+;27-,34+;25-,32+;21-,22+,25+;16-,17-;12-;8-;5-/m10011111/s1.

What are the key properties of (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine?

(2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine has a molecular weight of 3003.01 g/mol, XLogP of 26.87, 54 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-methylbutan-1-ol;(2R)-6-amino-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoic acid;(9S,12R)-12-amino-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-11-one;(2S)-2-(benzylideneamino)-3-methylbutan-1-ol;tert-butyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-oxo-3-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]propyl]hexanoate;9H-fluoren-9-ylmethyl (3S)-4-[[(2S)-3-methyl-1-prop-2-enoxybutan-2-yl]amino]-4-oxo-3-[(4-prop-2-enoxyphenyl)methyl]butanoate;9H-fluoren-9-ylmethyl 2-[(9S,12S)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]acetate;(2S)-3-methyl-1-prop-2-enoxybutan-2-amine is sourced from PubChem (CID 159613432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).