Compound C73H100N12O18

[8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-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]carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate

CAS: 78566-17-3

Molecular Formula	`C73H100N12O18`
Molecular Weight	1433.6 g/mol
LogP	6.1
Topological Polar Surface Area	382.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	20
Rotatable Bonds	11
Exact Mass	1432.7279
Heavy Atoms	103
Complexity	3540.0

Chemical Identifiers

CAS Number	78566-17-3
SMILES	`CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)OC(=O)C89CC1CC(C8)CC(C1)C9`
InChIKey	`OICLHHUVKVCFLM-UHFFFAOYSA-N`

📖 Product Overview

Compound C73H100N12O18 (CAS: 78566-17-3) is a chemical compound with molecular formula C73H100N12O18 and molecular weight 1433.6 g/mol. Its IUPAC systematic name is [8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-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]carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate. LogP 6.1 Topological Polar Surface Area 382.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 20 Rotatable Bonds 11 Exact Mass 1432.7279 Heavy Atoms 103 Complexity 3540.0 InChI Key: OICLHHUVKVCFLM-UHFFFAOYSA-N. SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)OC(=O)C89CC1CC(C8)CC(C1)C9.

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