(2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate

C139H252N18O28 — CID 158482365

About (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate

(2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate (PubChem CID 158482365) has the molecular formula C139H252N18O28 and a molecular weight of 2623.64 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate.

Molecular Properties

• Compound Name: (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate
• PubChem CID: 158482365
• Molecular Formula: C139H252N18O28
• Molecular Weight: 2623.64 g/mol
• Exact Mass: 2621.88
• IUPAC Name: (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate
• SMILES: C.C=CC(C)(C)[C@@H](C(=O)C[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CC)C(=O)O)[C@H](O)[C@H](C)CCCC)C(C)C)C(C)C)N(C)C(=O)[C@@H](C)NC.C=CC(C)(C)[C@@H](C(=O)C[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CC)C(=O)OC)[C@H](O)[C@H](C)CCCC)C(C)C)C(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C72H129N9O15.C66H119N9O13.CH4/c1-31-34-35-46(14)59(84)58(62(86)74-51(32-2)69(93)95-30)80(28)68(92)57(45(12)13)79(27)67(91)54(38-43(8)9)78(26)66(90)53(37-42(6)7)77(25)63(87)48(16)73-61(85)47(15)39-55(82)52(36-41(4)5)76(24)65(89)50(44(10)11)40-56(83)60(72(21,22)33-3)81(29)64(88)49(17)75(23)70(94)96-71(18,19)20;1-27-30-31-42(14)55(78)54(58(80)69-47(28-2)65(87)88)74(25)64(86)53(41(12)13)73(24)63(85)50(34-39(8)9)72(23)62(84)49(33-38(6)7)71(22)60(82)45(17)68-57(79)43(15)35-51(76)48(32-37(4)5)70(21)61(83)46(40(10)11)36-52(77)56(66(18,19)29-3)75(26)59(81)44(16)67-20;/h33,41-54,57-60,84H,3,31-32,34-40H2,1-2,4-30H3,(H,73,85)(H,74,86);29,37-50,53-56,67,78H,3,27-28,30-36H2,1-2,4-26H3,(H,68,79)(H,69,80)(H,87,88);1H4/t46-,47-,48-,49-,50+,51+,52+,53+,54+,57+,58+,59-,60-;42-,43-,44-,45-,46+,47+,48+,49+,50+,53+,54+,55-,56-;/m11./s1
• InChIKey: HHRCMRFSAWMHIP-GLKMDQFNSA-N
• XLogP: 14.49
• TPSA: 574.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 80
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.64
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate?

The IUPAC name of (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate (CID 158482365) is (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate.

What is the SMILES notation for (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate?

The canonical SMILES for (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate is C.C=CC(C)(C)[C@@H](C(=O)C[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CC)C(=O)O)[C@H](O)[C@H](C)CCCC)C(C)C)C(C)C)N(C)C(=O)[C@@H](C)NC.C=CC(C)(C)[C@@H](C(=O)C[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CC)C(=O)OC)[C@H](O)[C@H](C)CCCC)C(C)C)C(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate?

The InChIKey is HHRCMRFSAWMHIP-GLKMDQFNSA-N. The full InChI is InChI=1S/C72H129N9O15.C66H119N9O13.CH4/c1-31-34-35-46(14)59(84)58(62(86)74-51(32-2)69(93)95-30)80(28)68(92)57(45(12)13)79(27)67(91)54(38-43(8)9)78(26)66(90)53(37-42(6)7)77(25)63(87)48(16)73-61(85)47(15)39-55(82)52(36-41(4)5)76(24)65(89)50(44(10)11)40-56(83)60(72(21,22)33-3)81(29)64(88)49(17)75(23)70(94)96-71(18,19)20;1-27-30-31-42(14)55(78)54(58(80)69-47(28-2)65(87)88)74(25)64(86)53(41(12)13)73(24)63(85)50(34-39(8)9)72(23)62(84)49(33-38(6)7)71(22)60(82)45(17)68-57(79)43(15)35-51(76)48(32-37(4)5)70(21)61(83)46(40(10)11)36-52(77)56(66(18,19)29-3)75(26)59(81)44(16)67-20;/h33,41-54,57-60,84H,3,31-32,34-40H2,1-2,4-30H3,(H,73,85)(H,74,86);29,37-50,53-56,67,78H,3,27-28,30-36H2,1-2,4-26H3,(H,68,79)(H,69,80)(H,87,88);1H4/t46-,47-,48-,49-,50+,51+,52+,53+,54+,57+,58+,59-,60-;42-,43-,44-,45-,46+,47+,48+,49+,50+,53+,54+,55-,56-;/m11./s1.

What are the key properties of (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate?

(2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate has a molecular weight of 2623.64 g/mol, XLogP of 14.49, 80 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-(methylamino)propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoic acid;methane;methyl (2S)-2-[[(2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R,5S)-5-[[(2S,5S)-6,6-dimethyl-5-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxo-2-propan-2-yloct-7-enoyl]-methylamino]-2,7-dimethyl-4-oxooctanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloctanoyl]amino]butanoate is sourced from PubChem (CID 158482365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).