(2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

C102H156N10O23 — CID 158207352

About (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

(2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid (PubChem CID 158207352) has the molecular formula C102H156N10O23 and a molecular weight of 1890.42 g/mol. Its IUPAC name is (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
• PubChem CID: 158207352
• Molecular Formula: C102H156N10O23
• Molecular Weight: 1890.42 g/mol
• Exact Mass: 1889.13
• IUPAC Name: (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
• SMILES: CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)NC[C@@H](C)O)Cc2ccc(O)c(c2)-c2cc1ccc2O.CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O.C[C@@H](O)CN
• InChI: InChI=1S/C51H77N5O11.C48H70N4O11.C3H9NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-46(63)55(5)41(32-57)51(67)53-35(4)42(59)25-26-47(64)56(6)48-37-22-24-44(61)39(30-37)38-28-36(21-23-43(38)60)29-40(50(66)52-31-34(3)58)54-49(65)33(2)27-45(48)62;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-43(58)51(4)38(30-53)47(61)49-32(3)39(54)24-25-44(59)52(5)45-34-21-23-41(56)36(29-34)35-27-33(20-22-40(35)55)28-37(48(62)63)50-46(60)31(2)26-42(45)57;1-3(5)2-4/h21-24,28,30,33-35,40-41,48,57-58,60-61H,7-20,25-27,29,31-32H2,1-6H3,(H,52,66)(H,53,67)(H,54,65);20-23,27,29,31-32,37-38,45,53,55-56H,6-19,24-26,28,30H2,1-5H3,(H,49,61)(H,50,60)(H,62,63);3,5H,2,4H2,1H3/t33-,34-,35-,40+,41-,48+;31-,32-,37+,38-,45+;3-/m111/s1
• InChIKey: GBQRHIXOBRGIAP-XVGGVNFFSA-N
• XLogP: 11.02
• TPSA: 520.18 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 51
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.42
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid?

The IUPAC name of (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid (CID 158207352) is (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid.

What is the SMILES notation for (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid?

The canonical SMILES for (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid is CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)NC[C@@H](C)O)Cc2ccc(O)c(c2)-c2cc1ccc2O.CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O.C[C@@H](O)CN.

What is the InChIKey of (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid?

The InChIKey is GBQRHIXOBRGIAP-XVGGVNFFSA-N. The full InChI is InChI=1S/C51H77N5O11.C48H70N4O11.C3H9NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-46(63)55(5)41(32-57)51(67)53-35(4)42(59)25-26-47(64)56(6)48-37-22-24-44(61)39(30-37)38-28-36(21-23-43(38)60)29-40(50(66)52-31-34(3)58)54-49(65)33(2)27-45(48)62;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-43(58)51(4)38(30-53)47(61)49-32(3)39(54)24-25-44(59)52(5)45-34-21-23-41(56)36(29-34)35-27-33(20-22-40(35)55)28-37(48(62)63)50-46(60)31(2)26-42(45)57;1-3(5)2-4/h21-24,28,30,33-35,40-41,48,57-58,60-61H,7-20,25-27,29,31-32H2,1-6H3,(H,52,66)(H,53,67)(H,54,65);20-23,27,29,31-32,37-38,45,53,55-56H,6-19,24-26,28,30H2,1-5H3,(H,49,61)(H,50,60)(H,62,63);3,5H,2,4H2,1H3/t33-,34-,35-,40+,41-,48+;31-,32-,37+,38-,45+;3-/m111/s1.

What are the key properties of (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid?

(2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid has a molecular weight of 1890.42 g/mol, XLogP of 11.02, 51 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-aminopropan-2-ol;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-N-[(2R)-2-hydroxypropyl]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(5R)-5-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]-4-oxohexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid is sourced from PubChem (CID 158207352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).