9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate

C72H80N10O21 — CID 177278519

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate (PubChem CID 177278519) has the molecular formula C72H80N10O21 and a molecular weight of 1421.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate
• PubChem CID: 177278519
• Molecular Formula: C72H80N10O21
• Molecular Weight: 1421.48 g/mol
• Exact Mass: 1420.55
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c4c1c2[C@@H](NC(=O)C(C)(C)COCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)OCC1c2ccccc2-c2ccccc21)CC4)OCO3
• InChI: InChI=1S/C72H80N10O21/c1-4-72(97)45-23-50-60-42(29-82(50)67(93)44(45)32-99-69(72)95)59-46(19-18-41-58(59)48(79-60)24-51-64(41)102-35-101-51)80-68(94)71(2,3)33-98-34-77-56(86)27-76-66(92)49(22-36-12-6-5-7-13-36)78-57(87)28-74-55(85)26-75-65(91)47(20-21-54(84)73-25-52-61(88)63(90)62(89)53(30-83)103-52)81-70(96)100-31-43-39-16-10-8-14-37(39)38-15-9-11-17-40(38)43/h5-17,23-24,43,46-47,49,52-53,61-63,83,88-90,97H,4,18-22,25-35H2,1-3H3,(H,73,84)(H,74,85)(H,75,91)(H,76,92)(H,77,86)(H,78,87)(H,80,94)(H,81,96)/t46-,47-,49-,52-,53+,61-,62+,63+,72-/m0/s1
• InChIKey: YABBRJPHPAPKNS-NKPZYXGPSA-N
• XLogP: -0.25
• TPSA: 441.29 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.48
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate (CID 177278519) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c4c1c2[C@@H](NC(=O)C(C)(C)COCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)OCC1c2ccccc2-c2ccccc21)CC4)OCO3.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate?

The InChIKey is YABBRJPHPAPKNS-NKPZYXGPSA-N. The full InChI is InChI=1S/C72H80N10O21/c1-4-72(97)45-23-50-60-42(29-82(50)67(93)44(45)32-99-69(72)95)59-46(19-18-41-58(59)48(79-60)24-51-64(41)102-35-101-51)80-68(94)71(2,3)33-98-34-77-56(86)27-76-66(92)49(22-36-12-6-5-7-13-36)78-57(87)28-74-55(85)26-75-65(91)47(20-21-54(84)73-25-52-61(88)63(90)62(89)53(30-83)103-52)81-70(96)100-31-43-39-16-10-8-14-37(39)38-15-9-11-17-40(38)43/h5-17,23-24,43,46-47,49,52-53,61-63,83,88-90,97H,4,18-22,25-35H2,1-3H3,(H,73,84)(H,74,85)(H,75,91)(H,76,92)(H,77,86)(H,78,87)(H,80,94)(H,81,96)/t46-,47-,49-,52-,53+,61-,62+,63+,72-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate has a molecular weight of 1421.48 g/mol, XLogP of -0.25, 27 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[3-[[(10S,26S)-10-ethyl-10-hydroxy-5,9-dioxo-8,19,21-trioxa-4,15-diazaheptacyclo[14.10.1.02,14.04,13.06,11.018,22.023,27]heptacosa-1,6(11),12,14,16,18(22),23(27)-heptaen-26-yl]amino]-2,2-dimethyl-3-oxopropoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 177278519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).