[(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver

C85H100AgN10O18S2 — CID 167703648

About [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver

[(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver (PubChem CID 167703648) has the molecular formula C85H100AgN10O18S2 and a molecular weight of 1721.79 g/mol. Its IUPAC name is [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver.

Molecular Properties

• Compound Name: [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver
• PubChem CID: 167703648
• Molecular Formula: C85H100AgN10O18S2
• Molecular Weight: 1721.79 g/mol
• Exact Mass: 1719.57
• IUPAC Name: [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver
• SMILES: COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H](SC[C@@]4(C)N[C@@H](CO)Cc5c4[nH]c4ccc(C)cc54)c4c(C)c(C)c5c(c4[C@H](COC=O)N3[C@@H](C#N)[C@H](C2)N1C)OCO5.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H](SC[C@@]4(C)N[C@@H](CO)Cc5c4[nH]c4ccc(C)cc54)c4c(C)c(C)c5c(c4[C@H](COC=O)N3[C@@H](O)[C@H](C2)N1C)OCO5.O=[N+]([O-])O.[Ag]
• InChI: InChI=1S/C43H49N5O7S.C42H50N4O8S.Ag.HNO3/c1-20-8-9-28-26(10-20)27-13-25(15-49)46-43(5,42(27)45-28)17-56-41-32-22(3)23(4)39-40(55-19-54-39)34(32)31(16-53-18-50)48-30(14-44)29-12-24-11-21(2)38(52-7)37(51)33(24)35(36(41)48)47(29)6;1-19-8-9-27-25(10-19)26-13-24(14-47)44-42(5,40(26)43-27)16-55-39-30-21(3)22(4)37-38(54-18-53-37)32(30)29(15-52-17-48)46-34(39)33-31-23(12-28(41(46)50)45(33)6)11-20(2)36(51-7)35(31)49;;2-1(3)4/h8-11,18,25,29-31,35-36,41,45-46,49,51H,12-13,15-17,19H2,1-7H3;8-11,17,24,28-29,33-34,39,41,43-44,47,49-50H,12-16,18H2,1-7H3;;(H,2,3,4)/t25-,29+,30+,31+,35-,36-,41-,43-;24-,28+,29+,33-,34-,39-,41+,42-;;/m11../s1
• InChIKey: TYUMBBWJZXDSIR-PJOLNAIPSA-N
• XLogP: 9.96
• TPSA: 364.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1721.79
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver?

The IUPAC name of [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver (CID 167703648) is [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver.

What is the SMILES notation for [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver?

The canonical SMILES for [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver is COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H](SC[C@@]4(C)N[C@@H](CO)Cc5c4[nH]c4ccc(C)cc54)c4c(C)c(C)c5c(c4[C@H](COC=O)N3[C@@H](C#N)[C@H](C2)N1C)OCO5.COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@H](SC[C@@]4(C)N[C@@H](CO)Cc5c4[nH]c4ccc(C)cc54)c4c(C)c(C)c5c(c4[C@H](COC=O)N3[C@@H](O)[C@H](C2)N1C)OCO5.O=[N+]([O-])O.[Ag].

What is the InChIKey of [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver?

The InChIKey is TYUMBBWJZXDSIR-PJOLNAIPSA-N. The full InChI is InChI=1S/C43H49N5O7S.C42H50N4O8S.Ag.HNO3/c1-20-8-9-28-26(10-20)27-13-25(15-49)46-43(5,42(27)45-28)17-56-41-32-22(3)23(4)39-40(55-19-54-39)34(32)31(16-53-18-50)48-30(14-44)29-12-24-11-21(2)38(52-7)37(51)33(24)35(36(41)48)47(29)6;1-19-8-9-27-25(10-19)26-13-24(14-47)44-42(5,40(26)43-27)16-55-39-30-21(3)22(4)37-38(54-18-53-37)32(30)29(15-52-17-48)46-34(39)33-31-23(12-28(41(46)50)45(33)6)11-20(2)36(51-7)35(31)49;;2-1(3)4/h8-11,18,25,29-31,35-36,41,45-46,49,51H,12-13,15-17,19H2,1-7H3;8-11,17,24,28-29,33-34,39,41,43-44,47,49-50H,12-16,18H2,1-7H3;;(H,2,3,4)/t25-,29+,30+,31+,35-,36-,41-,43-;24-,28+,29+,33-,34-,39-,41+,42-;;/m11../s1.

What are the key properties of [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver?

[(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver has a molecular weight of 1721.79 g/mol, XLogP of 9.96, 16 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R,13R,15R,16S)-15-cyano-22-hydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;[(1R,2R,3R,13R,15S,16S)-15,22-dihydroxy-3-[[(1S,3R)-3-(hydroxymethyl)-1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylsulfanyl]-21-methoxy-5,6,20,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl formate;nitric acid;silver is sourced from PubChem (CID 167703648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).