chempirical

Fmoc-asp(odmab)-oh

C39H42N2O8CAS 269066-08-2666.77 g/mol

Open in Covalent MOL file
NOOOOHNHOOOHO
AlkeneCarbamateCarboxylic acidEsterImineKetone

Properties

Molecular formula
C39H42N2O8
Molar mass
666.77 g/mol
Exact mass
666.2941 Da
logP
7.43Crippen estimate
Polar surface area
151.6 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
12
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
269066-08-2
SMILES
CC(C)CC(=NC1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=C(CC(CC5=O)(C)C)O
InChIKey
RZOFMGBIWZZRKU-YTTGMZPUSA-N
InChI
InChI=1S/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-35(44)18-32(37(45)46)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,42H,17-22H2,1-4H3,(H,41,47)(H,45,46)/t32-/m0/s1

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Work with Fmoc-asp(odmab)-oh

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-L-alanine607366-20-174 % similar Fmoc-orn(ivdde)-oh1198321-33-373 % similar Fmoc-D-lys(ivdde)-oh1272755-33-572 % similar (2S)-2-(9H-Fuoren-9-ylmethoxycarbonylamino)-6-((1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene)amino)hexanoic acid204777-78-672 % similar Fmoc-L-aspartic acid 4-benzyl ester86060-84-662 % similar Fmoc-orn(dde)-oh269062-80-861 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid596797-14-761 % similar Fmoc-L-lys(dde)-oh150629-67-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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