2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

C62H84N12O18 — CID 10725097

About 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide (PubChem CID 10725097) has the molecular formula C62H84N12O18 and a molecular weight of 1285.42 g/mol. Its IUPAC name is 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide.

Molecular Properties

• Compound Name: 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
• PubChem CID: 10725097
• Molecular Formula: C62H84N12O18
• Molecular Weight: 1285.42 g/mol
• Exact Mass: 1284.60
• IUPAC Name: 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
• SMILES: Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5C(C)CC(O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3C(C)C(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
• InChI: InChI=1S/C62H84N12O18/c1-24(2)42-58(85)73-28(8)20-37(76)49(73)60(87)70(15)23-39(78)72(17)48(26(5)6)62(89)91-33(13)44(55(82)65-42)67-53(80)34-19-18-27(7)51-46(34)64-47-40(41(63)50(79)29(9)52(47)92-51)54(81)68-45-32(12)90-61(88)31(11)71(16)38(77)22-69(14)57(84)35-21-36(75)30(10)74(35)59(86)43(25(3)4)66-56(45)83/h18-19,24-26,28,30-33,35,37,42-45,48-49,76H,20-23,63H2,1-17H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)/t28?,30?,31-,32+,33+,35-,37?,42+,43+,44-,45-,48-,49-/m0/s1
• InChIKey: NGFUGVYRFFWVGT-IOHOFYHPSA-N
• XLogP: -0.98
• TPSA: 397.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.42
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide?

The IUPAC name of 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide (CID 10725097) is 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide.

What is the SMILES notation for 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide?

The canonical SMILES for 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide is Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5C(C)CC(O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3C(C)C(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O.

What is the InChIKey of 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide?

The InChIKey is NGFUGVYRFFWVGT-IOHOFYHPSA-N. The full InChI is InChI=1S/C62H84N12O18/c1-24(2)42-58(85)73-28(8)20-37(76)49(73)60(87)70(15)23-39(78)72(17)48(26(5)6)62(89)91-33(13)44(55(82)65-42)67-53(80)34-19-18-27(7)51-46(34)64-47-40(41(63)50(79)29(9)52(47)92-51)54(81)68-45-32(12)90-61(88)31(11)71(16)38(77)22-69(14)57(84)35-21-36(75)30(10)74(35)59(86)43(25(3)4)66-56(45)83/h18-19,24-26,28,30-33,35,37,42-45,48-49,76H,20-23,63H2,1-17H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)/t28?,30?,31-,32+,33+,35-,37?,42+,43+,44-,45-,48-,49-/m0/s1.

What are the key properties of 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide?

2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide has a molecular weight of 1285.42 g/mol, XLogP of -0.98, 7 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-N-[(3R,6S,7R,10S,16S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14,19-pentamethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide is sourced from PubChem (CID 10725097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).